N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide

C103H117N19O15S10 — CID 160978317

About N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide

N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 160978317) has the molecular formula C103H117N19O15S10 and a molecular weight of 2181.86 g/mol. Its IUPAC name is N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
• PubChem CID: 160978317
• Molecular Formula: C103H117N19O15S10
• Molecular Weight: 2181.86 g/mol
• Exact Mass: 2179.62
• IUPAC Name: N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
• SMILES: C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccsc4)s3)c(C)cc2OC)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cnn(C)c4)s3)c(C)cc2OC)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cnsc4)s3)c(C)cc2OC)C[C@H]1CC
• InChI: InChI=1S/C26H30N6O4S2.C26H28N4O4S3.C26H32N4O3S2.C25H27N5O4S3/c1-6-18-15-31(8-9-32(18)22(33)7-2)25(35)19-11-21(16(3)10-20(19)36-5)37-23-13-27-26(38-23)29-24(34)17-12-28-30(4)14-17;1-5-18-14-29(8-9-30(18)22(31)6-2)25(33)19-12-21(16(3)11-20(19)34-4)36-23-13-27-26(37-23)28-24(32)17-7-10-35-15-17;1-5-19-15-29(10-7-11-30(19)22(31)6-2)25(33)20-13-21(17(4)12-16(20)3)34-23-14-27-26(35-23)28-24(32)18-8-9-18;1-5-17-13-29(7-8-30(17)21(31)6-2)24(33)18-10-20(15(3)9-19(18)34-4)36-22-12-26-25(37-22)28-23(32)16-11-27-35-14-16/h7,10-14,18H,2,6,8-9,15H2,1,3-5H3,(H,27,29,34);6-7,10-13,15,18H,2,5,8-9,14H2,1,3-4H3,(H,27,28,32);6,12-14,18-19H,2,5,7-11,15H2,1,3-4H3,(H,27,28,32);6,9-12,14,17H,2,5,7-8,13H2,1,3-4H3,(H,26,28,32)/t2*18-;19-;17-/m1111/s1
• InChIKey: SZEDKDBURANJGF-JGRGUYPSSA-N
• XLogP: 18.49
• TPSA: 388.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.86
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?

The IUPAC name of N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 160978317) is N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide is C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2C)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccsc4)s3)c(C)cc2OC)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cnn(C)c4)s3)c(C)cc2OC)C[C@H]1CC.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cnsc4)s3)c(C)cc2OC)C[C@H]1CC.

What is the InChIKey of N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?

The InChIKey is SZEDKDBURANJGF-JGRGUYPSSA-N. The full InChI is InChI=1S/C26H30N6O4S2.C26H28N4O4S3.C26H32N4O3S2.C25H27N5O4S3/c1-6-18-15-31(8-9-32(18)22(33)7-2)25(35)19-11-21(16(3)10-20(19)36-5)37-23-13-27-26(38-23)29-24(34)17-12-28-30(4)14-17;1-5-18-14-29(8-9-30(18)22(31)6-2)25(33)19-12-21(16(3)11-20(19)34-4)36-23-13-27-26(37-23)28-24(32)17-7-10-35-15-17;1-5-19-15-29(10-7-11-30(19)22(31)6-2)25(33)20-13-21(17(4)12-16(20)3)34-23-14-27-26(35-23)28-24(32)18-8-9-18;1-5-17-13-29(7-8-30(17)21(31)6-2)24(33)18-10-20(15(3)9-19(18)34-4)36-22-12-26-25(37-22)28-23(32)16-11-27-35-14-16/h7,10-14,18H,2,6,8-9,15H2,1,3-5H3,(H,27,29,34);6-7,10-13,15,18H,2,5,8-9,14H2,1,3-4H3,(H,27,28,32);6,12-14,18-19H,2,5,7-11,15H2,1,3-4H3,(H,27,28,32);6,9-12,14,17H,2,5,7-8,13H2,1,3-4H3,(H,26,28,32)/t2*18-;19-;17-/m1111/s1.

What are the key properties of N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide?

N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 2181.86 g/mol, XLogP of 18.49, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]-2,4-dimethylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1,2-thiazole-4-carboxamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 160978317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).