N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide

C153H123Cl6F15N48O21S7 — CID 159278969

IUPACN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(Nc4ccon4)ncn3)s2)cc1C(F)(F)F.O=C(CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1)c1cc(Nc2ccon2)ncn1
InChIInChI=1S/2C23H23ClN8O3S.2C22H16ClF3N6O3S.C22H17F3N6O3S.C21H15ClF3N7O3S.C20H13ClF3N7O3S/c1-12(7-15(33)14-8-18(28-11-27-14)29-17-5-6-35-32-17)21-25-10-16(36-21)20(34)31-22-26-9-13(24)19(30-22)23(2,3)4;1-12(7-15(33)14-9-18(27-11-26-14)28-17-5-6-35-32-17)22-25-10-16(36-22)21(34)29-19-8-13(23(2,3)4)20(24)31-30-19;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-14(23)13(7-12)22(24,25)26;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-13(14(23)7-12)22(24,25)26;1-12-2-3-13(8-14(12)22(23,24)25)29-21(33)17-10-26-20(35-17)5-4-16(32)15-9-19(28-11-27-15)30-18-6-7-34-31-18;1-10(4-14(33)13-6-18(29-9-28-13)30-16-2-3-35-32-16)20-27-8-15(36-20)19(34)31-17-5-11(21(23,24)25)12(22)7-26-17;21-11-7-25-16(5-10(11)20(22,23)24)30-19(33)14-8-26-18(35-14)2-1-13(32)12-6-17(28-9-27-12)29-15-3-4-34-31-15/h5-6,8-12H,7H2,1-4H3,(H,26,30,31,34)(H,27,28,29,32);5-6,8-12H,7H2,1-4H3,(H,29,30,34)(H,26,27,28,32);2*2-5,7-11H,6H2,1H3,(H,30,34)(H,28,29,31,32);2-3,6-11H,4-5H2,1H3,(H,29,33)(H,27,28,30,31);2-3,5-10H,4H2,1H3,(H,26,31,34)(H,28,29,30,32);3-9H,1-2H2,(H,25,30,33)(H,27,28,29,31)/t;;11-;;;10-;/m..0..1./s1
InChIKeyKYRBCNNBKHYYHR-ZQVUVZKHSA-N
MW3692.14 g/mol
LogP37.22
Rot. Bonds56

About N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide

N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 159278969) has the molecular formula C153H123Cl6F15N48O21S7 and a molecular weight of 3692.14 g/mol. Its IUPAC name is N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide
PubChem CID159278969
Molecular FormulaC153H123Cl6F15N48O21S7
Molecular Weight3692.14 g/mol
Exact Mass3686.60
IUPAC NameN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(Nc4ccon4)ncn3)s2)cc1C(F)(F)F.O=C(CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1)c1cc(Nc2ccon2)ncn1
InChIInChI=1S/2C23H23ClN8O3S.2C22H16ClF3N6O3S.C22H17F3N6O3S.C21H15ClF3N7O3S.C20H13ClF3N7O3S/c1-12(7-15(33)14-8-18(28-11-27-14)29-17-5-6-35-32-17)21-25-10-16(36-21)20(34)31-22-26-9-13(24)19(30-22)23(2,3)4;1-12(7-15(33)14-9-18(27-11-26-14)28-17-5-6-35-32-17)22-25-10-16(36-22)21(34)29-19-8-13(23(2,3)4)20(24)31-30-19;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-14(23)13(7-12)22(24,25)26;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-13(14(23)7-12)22(24,25)26;1-12-2-3-13(8-14(12)22(23,24)25)29-21(33)17-10-26-20(35-17)5-4-16(32)15-9-19(28-11-27-15)30-18-6-7-34-31-18;1-10(4-14(33)13-6-18(29-9-28-13)30-16-2-3-35-32-16)20-27-8-15(36-20)19(34)31-17-5-11(21(23,24)25)12(22)7-26-17;21-11-7-25-16(5-10(11)20(22,23)24)30-19(33)14-8-26-18(35-14)2-1-13(32)12-6-17(28-9-27-12)29-15-3-4-34-31-15/h5-6,8-12H,7H2,1-4H3,(H,26,30,31,34)(H,27,28,29,32);5-6,8-12H,7H2,1-4H3,(H,29,30,34)(H,26,27,28,32);2*2-5,7-11H,6H2,1H3,(H,30,34)(H,28,29,31,32);2-3,6-11H,4-5H2,1H3,(H,29,33)(H,27,28,30,31);2-3,5-10H,4H2,1H3,(H,26,31,34)(H,28,29,30,32);3-9H,1-2H2,(H,25,30,33)(H,27,28,29,31)/t;;11-;;;10-;/m..0..1./s1
InChIKeyKYRBCNNBKHYYHR-ZQVUVZKHSA-N
XLogP37.22
TPSA937.64 Ų
H-Bond Donors14
H-Bond Acceptors69
Rotatable Bonds56
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003692.14
LogP ≤ 537.22
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1069

Analyze N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide (CID 159278969) is N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(Nc2ccon2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(Nc4ccon4)ncn3)s2)cc1C(F)(F)F.O=C(CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1)c1cc(Nc2ccon2)ncn1.
What is the InChIKey of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KYRBCNNBKHYYHR-ZQVUVZKHSA-N. The full InChI is InChI=1S/2C23H23ClN8O3S.2C22H16ClF3N6O3S.C22H17F3N6O3S.C21H15ClF3N7O3S.C20H13ClF3N7O3S/c1-12(7-15(33)14-8-18(28-11-27-14)29-17-5-6-35-32-17)21-25-10-16(36-21)20(34)31-22-26-9-13(24)19(30-22)23(2,3)4;1-12(7-15(33)14-9-18(27-11-26-14)28-17-5-6-35-32-17)22-25-10-16(36-22)21(34)29-19-8-13(23(2,3)4)20(24)31-30-19;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-14(23)13(7-12)22(24,25)26;1-11(6-16(33)15-8-19(29-10-28-15)31-18-4-5-35-32-18)21-27-9-17(36-21)20(34)30-12-2-3-13(14(23)7-12)22(24,25)26;1-12-2-3-13(8-14(12)22(23,24)25)29-21(33)17-10-26-20(35-17)5-4-16(32)15-9-19(28-11-27-15)30-18-6-7-34-31-18;1-10(4-14(33)13-6-18(29-9-28-13)30-16-2-3-35-32-16)20-27-8-15(36-20)19(34)31-17-5-11(21(23,24)25)12(22)7-26-17;21-11-7-25-16(5-10(11)20(22,23)24)30-19(33)14-8-26-18(35-14)2-1-13(32)12-6-17(28-9-27-12)29-15-3-4-34-31-15/h5-6,8-12H,7H2,1-4H3,(H,26,30,31,34)(H,27,28,29,32);5-6,8-12H,7H2,1-4H3,(H,29,30,34)(H,26,27,28,32);2*2-5,7-11H,6H2,1H3,(H,30,34)(H,28,29,31,32);2-3,6-11H,4-5H2,1H3,(H,29,33)(H,27,28,30,31);2-3,5-10H,4H2,1H3,(H,26,31,34)(H,28,29,30,32);3-9H,1-2H2,(H,25,30,33)(H,27,28,29,31)/t;;11-;;;10-;/m..0..1./s1.
What are the key properties of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3692.14 g/mol, XLogP of 37.22, 56 rotatable bonds, 14 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159278969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).