2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C130H122ClN21O12S7 — CID 159470909

IUPAC2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.CC(NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1.COc1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.COc1ccc(-c2nc(C(=O)NCc3ccccn3)cs2)cc1.COc1cccc(-c2csc(C(=O)N3CCC(c4ccccc4)CC3)n2)c1OC.O=C(NCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1.O=C(c1csc(-c2ncccn2)n1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H24N2O3S.C20H21N3OS.C19H18N4O2S.C18H17N3O2S.C17H15N3O2S.C17H15N3OS.C16H12ClN3OS/c1-27-20-10-6-9-18(21(20)28-2)19-15-29-22(24-19)23(26)25-13-11-17(12-14-25)16-7-4-3-5-8-16;1-13(2)15-7-9-16(10-8-15)20-23-18(12-25-20)19(24)22-14(3)17-6-4-5-11-21-17;24-15-4-2-13(3-5-15)14-6-10-23(11-7-14)19(25)16-12-26-18(22-16)17-20-8-1-9-21-17;1-12(15-5-3-4-10-19-15)20-17(22)16-11-24-18(21-16)13-6-8-14(23-2)9-7-13;1-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-10-13-4-2-3-9-18-13;1-12(14-9-5-6-10-18-14)19-16(21)15-11-22-17(20-15)13-7-3-2-4-8-13;17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h3-10,15,17H,11-14H2,1-2H3;4-14H,1-3H3,(H,22,24);1-5,8-9,12,14,24H,6-7,10-11H2;3-12H,1-2H3,(H,20,22);2-9,11H,10H2,1H3,(H,19,21);2-12H,1H3,(H,19,21);1-8,10H,9H2,(H,19,21)
InChIKeyLVUFHESLSNNPBJ-UHFFFAOYSA-N
MW2430.46 g/mol
LogP27.33
Rot. Bonds31

About 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 159470909) has the molecular formula C130H122ClN21O12S7 and a molecular weight of 2430.46 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID159470909
Molecular FormulaC130H122ClN21O12S7
Molecular Weight2430.46 g/mol
Exact Mass2427.73
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.CC(NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1.COc1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.COc1ccc(-c2nc(C(=O)NCc3ccccn3)cs2)cc1.COc1cccc(-c2csc(C(=O)N3CCC(c4ccccc4)CC3)n2)c1OC.O=C(NCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1.O=C(c1csc(-c2ncccn2)n1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H24N2O3S.C20H21N3OS.C19H18N4O2S.C18H17N3O2S.C17H15N3O2S.C17H15N3OS.C16H12ClN3OS/c1-27-20-10-6-9-18(21(20)28-2)19-15-29-22(24-19)23(26)25-13-11-17(12-14-25)16-7-4-3-5-8-16;1-13(2)15-7-9-16(10-8-15)20-23-18(12-25-20)19(24)22-14(3)17-6-4-5-11-21-17;24-15-4-2-13(3-5-15)14-6-10-23(11-7-14)19(25)16-12-26-18(22-16)17-20-8-1-9-21-17;1-12(15-5-3-4-10-19-15)20-17(22)16-11-24-18(21-16)13-6-8-14(23-2)9-7-13;1-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-10-13-4-2-3-9-18-13;1-12(14-9-5-6-10-18-14)19-16(21)15-11-22-17(20-15)13-7-3-2-4-8-13;17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h3-10,15,17H,11-14H2,1-2H3;4-14H,1-3H3,(H,22,24);1-5,8-9,12,14,24H,6-7,10-11H2;3-12H,1-2H3,(H,20,22);2-9,11H,10H2,1H3,(H,19,21);2-12H,1H3,(H,19,21);1-8,10H,9H2,(H,19,21)
InChIKeyLVUFHESLSNNPBJ-UHFFFAOYSA-N
XLogP27.33
TPSA423.73 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.46
LogP ≤ 527.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 159470909) is 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.CC(NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1.COc1ccc(-c2nc(C(=O)NC(C)c3ccccn3)cs2)cc1.COc1ccc(-c2nc(C(=O)NCc3ccccn3)cs2)cc1.COc1cccc(-c2csc(C(=O)N3CCC(c4ccccc4)CC3)n2)c1OC.O=C(NCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1.O=C(c1csc(-c2ncccn2)n1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LVUFHESLSNNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S.C20H21N3OS.C19H18N4O2S.C18H17N3O2S.C17H15N3O2S.C17H15N3OS.C16H12ClN3OS/c1-27-20-10-6-9-18(21(20)28-2)19-15-29-22(24-19)23(26)25-13-11-17(12-14-25)16-7-4-3-5-8-16;1-13(2)15-7-9-16(10-8-15)20-23-18(12-25-20)19(24)22-14(3)17-6-4-5-11-21-17;24-15-4-2-13(3-5-15)14-6-10-23(11-7-14)19(25)16-12-26-18(22-16)17-20-8-1-9-21-17;1-12(15-5-3-4-10-19-15)20-17(22)16-11-24-18(21-16)13-6-8-14(23-2)9-7-13;1-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-10-13-4-2-3-9-18-13;1-12(14-9-5-6-10-18-14)19-16(21)15-11-22-17(20-15)13-7-3-2-4-8-13;17-12-6-4-11(5-7-12)16-20-14(10-22-16)15(21)19-9-13-3-1-2-8-18-13/h3-10,15,17H,11-14H2,1-2H3;4-14H,1-3H3,(H,22,24);1-5,8-9,12,14,24H,6-7,10-11H2;3-12H,1-2H3,(H,20,22);2-9,11H,10H2,1H3,(H,19,21);2-12H,1H3,(H,19,21);1-8,10H,9H2,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2430.46 g/mol, XLogP of 27.33, 31 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;[4-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]-(4-phenylpiperidin-1-yl)methanone;[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone;2-(4-methoxyphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide;2-(4-propan-2-ylphenyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159470909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).