N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C191H217F6N33O26S16 — CID 158505777

IUPACN-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESC=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)C[C@@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)[C@@H](C)C1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cn2)CC1
InChIInChI=1S/C25H27F3N4O3S2.2C25H30N4O4S2.C24H25F3N4O3S2.2C24H28N4O3S2.C23H26N4O3S2.C21H23N5O3S2/c1-4-20(33)32-9-5-8-31(13-15(32)3)23(35)17-11-19(14(2)10-18(17)25(26,27)28)36-21-12-29-24(37-21)30-22(34)16-6-7-16;1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-5-21(30)28-9-6-10-29(16(3)14-28)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-4-19(32)31-8-7-30(12-14(31)3)22(34)16-10-18(13(2)9-17(16)24(25,26)27)35-20-11-28-23(36-20)29-21(33)15-5-6-15;1-5-20(29)28-9-8-27(13-16(28)4)23(31)18-11-19(15(3)10-14(18)2)32-21-12-25-24(33-21)26-22(30)17-6-7-17;1-4-20(29)27-8-5-9-28(11-10-27)23(31)18-13-19(16(3)12-15(18)2)32-21-14-25-24(33-21)26-22(30)17-6-7-17;1-4-19(28)26-7-9-27(10-8-26)22(30)17-12-18(15(3)11-14(17)2)31-20-13-24-23(32-20)25-21(29)16-5-6-16;1-3-17(27)25-6-8-26(9-7-25)20(29)15-10-16(13(2)11-22-15)30-18-12-23-21(31-18)24-19(28)14-4-5-14/h4,10-12,15-16H,1,5-9,13H2,2-3H3,(H,29,30,34);2*5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31);4,9-11,14-15H,1,5-8,12H2,2-3H3,(H,28,29,33);5,10-12,16-17H,1,6-9,13H2,2-4H3,(H,25,26,30);4,12-14,17H,1,5-11H2,2-3H3,(H,25,26,30);4,11-13,16H,1,5-10H2,2-3H3,(H,24,25,29);3,10-12,14H,1,4-9H2,2H3,(H,23,24,28)/t15-;2*16-;14-;16-;;;/m10011.../s1
InChIKeyHKLIDADFMIRCJS-ZTTMVCAASA-N
MW4018.10 g/mol
LogP33.25
Rot. Bonds50

About N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 158505777) has the molecular formula C191H217F6N33O26S16 and a molecular weight of 4018.10 g/mol. Its IUPAC name is N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID158505777
Molecular FormulaC191H217F6N33O26S16
Molecular Weight4018.10 g/mol
Exact Mass4014.21
IUPAC NameN-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESC=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)C[C@@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)[C@@H](C)C1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cn2)CC1
InChIInChI=1S/C25H27F3N4O3S2.2C25H30N4O4S2.C24H25F3N4O3S2.2C24H28N4O3S2.C23H26N4O3S2.C21H23N5O3S2/c1-4-20(33)32-9-5-8-31(13-15(32)3)23(35)17-11-19(14(2)10-18(17)25(26,27)28)36-21-12-29-24(37-21)30-22(34)16-6-7-16;1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-5-21(30)28-9-6-10-29(16(3)14-28)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-4-19(32)31-8-7-30(12-14(31)3)22(34)16-10-18(13(2)9-17(16)24(25,26)27)35-20-11-28-23(36-20)29-21(33)15-5-6-15;1-5-20(29)28-9-8-27(13-16(28)4)23(31)18-11-19(15(3)10-14(18)2)32-21-12-25-24(33-21)26-22(30)17-6-7-17;1-4-20(29)27-8-5-9-28(11-10-27)23(31)18-13-19(16(3)12-15(18)2)32-21-14-25-24(33-21)26-22(30)17-6-7-17;1-4-19(28)26-7-9-27(10-8-26)22(30)17-12-18(15(3)11-14(17)2)31-20-13-24-23(32-20)25-21(29)16-5-6-16;1-3-17(27)25-6-8-26(9-7-25)20(29)15-10-16(13(2)11-22-15)30-18-12-23-21(31-18)24-19(28)14-4-5-14/h4,10-12,15-16H,1,5-9,13H2,2-3H3,(H,29,30,34);2*5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31);4,9-11,14-15H,1,5-8,12H2,2-3H3,(H,28,29,33);5,10-12,16-17H,1,6-9,13H2,2-4H3,(H,25,26,30);4,12-14,17H,1,5-11H2,2-3H3,(H,25,26,30);4,11-13,16H,1,5-10H2,2-3H3,(H,24,25,29);3,10-12,14H,1,4-9H2,2H3,(H,23,24,28)/t15-;2*16-;14-;16-;;;/m10011.../s1
InChIKeyHKLIDADFMIRCJS-ZTTMVCAASA-N
XLogP33.25
TPSA692.23 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004018.10
LogP ≤ 533.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 158505777) is N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)C[C@@H]1C.C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)[C@@H](C)C1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C(F)(F)F)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)C[C@H]1C.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cn2)CC1.
What is the InChIKey of N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HKLIDADFMIRCJS-ZTTMVCAASA-N. The full InChI is InChI=1S/C25H27F3N4O3S2.2C25H30N4O4S2.C24H25F3N4O3S2.2C24H28N4O3S2.C23H26N4O3S2.C21H23N5O3S2/c1-4-20(33)32-9-5-8-31(13-15(32)3)23(35)17-11-19(14(2)10-18(17)25(26,27)28)36-21-12-29-24(37-21)30-22(34)16-6-7-16;1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-5-21(30)28-9-6-10-29(16(3)14-28)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17;1-4-19(32)31-8-7-30(12-14(31)3)22(34)16-10-18(13(2)9-17(16)24(25,26)27)35-20-11-28-23(36-20)29-21(33)15-5-6-15;1-5-20(29)28-9-8-27(13-16(28)4)23(31)18-11-19(15(3)10-14(18)2)32-21-12-25-24(33-21)26-22(30)17-6-7-17;1-4-20(29)27-8-5-9-28(11-10-27)23(31)18-13-19(16(3)12-15(18)2)32-21-14-25-24(33-21)26-22(30)17-6-7-17;1-4-19(28)26-7-9-27(10-8-26)22(30)17-12-18(15(3)11-14(17)2)31-20-13-24-23(32-20)25-21(29)16-5-6-16;1-3-17(27)25-6-8-26(9-7-25)20(29)15-10-16(13(2)11-22-15)30-18-12-23-21(31-18)24-19(28)14-4-5-14/h4,10-12,15-16H,1,5-9,13H2,2-3H3,(H,29,30,34);2*5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31);4,9-11,14-15H,1,5-8,12H2,2-3H3,(H,28,29,33);5,10-12,16-17H,1,6-9,13H2,2-4H3,(H,25,26,30);4,12-14,17H,1,5-11H2,2-3H3,(H,25,26,30);4,11-13,16H,1,5-10H2,2-3H3,(H,24,25,29);3,10-12,14H,1,4-9H2,2H3,(H,23,24,28)/t15-;2*16-;14-;16-;;;/m10011.../s1.
What are the key properties of N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 4018.10 g/mol, XLogP of 33.25, 50 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-dimethyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoyl-1,4-diazepane-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2,4-dimethyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(2S)-2-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-[(3S)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[(3R)-3-methyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[[5-methyl-2-(4-prop-2-enoylpiperazine-1-carbonyl)-4-pyridinyl]sulfanyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158505777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).