2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C54H64N14O8S2 — CID 87801951

IUPAC2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1C1(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)NC(C(N)=O)=CS1.COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1
InChIInChI=1S/C27H31N7O4S.C27H33N7O4S/c1-38-22-6-5-19(24(28)35)16-20(22)30-25(36)21-17-39-26(31-21)18-7-10-33(11-8-18)27(37)34-14-12-32(13-15-34)23-4-2-3-9-29-23;1-38-22-6-5-18(24(28)35)16-20(22)27(31-21(17-39-27)25(29)36)19-7-10-33(11-8-19)26(37)34-14-12-32(13-15-34)23-4-2-3-9-30-23/h2-6,9,16-18H,7-8,10-15H2,1H3,(H2,28,35)(H,30,36);2-6,9,16-17,19,31H,7-8,10-15H2,1H3,(H2,28,35)(H2,29,36)
InChIKeyXLNZPIBTSXYWCD-UHFFFAOYSA-N
MW1101.33 g/mol
LogP4.68
Rot. Bonds12

About 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 87801951) has the molecular formula C54H64N14O8S2 and a molecular weight of 1101.33 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID87801951
Molecular FormulaC54H64N14O8S2
Molecular Weight1101.33 g/mol
Exact Mass1100.45
IUPAC Name2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1C1(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)NC(C(N)=O)=CS1.COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1
InChIInChI=1S/C27H31N7O4S.C27H33N7O4S/c1-38-22-6-5-19(24(28)35)16-20(22)30-25(36)21-17-39-26(31-21)18-7-10-33(11-8-18)27(37)34-14-12-32(13-15-34)23-4-2-3-9-29-23;1-38-22-6-5-18(24(28)35)16-20(22)27(31-21(17-39-27)25(29)36)19-7-10-33(11-8-19)26(37)34-14-12-32(13-15-34)23-4-2-3-9-30-23/h2-6,9,16-18H,7-8,10-15H2,1H3,(H2,28,35)(H,30,36);2-6,9,16-17,19,31H,7-8,10-15H2,1H3,(H2,28,35)(H2,29,36)
InChIKeyXLNZPIBTSXYWCD-UHFFFAOYSA-N
XLogP4.68
TPSA281.11 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.33
LogP ≤ 54.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

US9617282, Example 16
CID 86299341
US9617282, Example 17
CID 86299375
US9617282, Example 18
CID 86299376
US9617282, Example 19
CID 86299377
US9617282, Example 21
CID 86299378
US9617282, Example 22
CID 86299379
US9617282, Example 20
CID 90431211
US9617282, Example 23
CID 90431359
3-[[4-[4-Methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 88357170
5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 159765511
N-[5-(aminocarbonyl)-2-methoxyphenyl]-2-(1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-1,3-thiazole-4-carboxamide
CID 3731953
5-(5-Carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 69363527

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 87801951) is 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(C(N)=O)cc1C1(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)NC(C(N)=O)=CS1.COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1.
What is the InChIKey of 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XLNZPIBTSXYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4S.C27H33N7O4S/c1-38-22-6-5-19(24(28)35)16-20(22)30-25(36)21-17-39-26(31-21)18-7-10-33(11-8-18)27(37)34-14-12-32(13-15-34)23-4-2-3-9-29-23;1-38-22-6-5-18(24(28)35)16-20(22)27(31-21(17-39-27)25(29)36)19-7-10-33(11-8-19)26(37)34-14-12-32(13-15-34)23-4-2-3-9-30-23/h2-6,9,16-18H,7-8,10-15H2,1H3,(H2,28,35)(H,30,36);2-6,9,16-17,19,31H,7-8,10-15H2,1H3,(H2,28,35)(H2,29,36).
What are the key properties of 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1101.33 g/mol, XLogP of 4.68, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-3H-1,3-thiazole-4-carboxamide;N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).