1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid

C79H66ClN21O13S7 — CID 175396292

About 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 175396292) has the molecular formula C79H66ClN21O13S7 and a molecular weight of 1777.45 g/mol. Its IUPAC name is 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
• PubChem CID: 175396292
• Molecular Formula: C79H66ClN21O13S7
• Molecular Weight: 1777.45 g/mol
• Exact Mass: 1775.29
• IUPAC Name: 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
• SMILES: N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1cc(Cl)cs1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1ccco1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1ccsc1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1nccs1
• InChI: InChI=1S/C20H16ClN5O3S2.C20H17N5O4S.C20H17N5O3S2.C19H16N6O3S2/c21-13-7-14(30-10-13)17-15(8-22)31-20(24-17)25-18(27)12-1-2-16(23-9-12)26-5-3-11(4-6-26)19(28)29;21-10-15-17(14-2-1-9-29-14)23-20(30-15)24-18(26)13-3-4-16(22-11-13)25-7-5-12(6-8-25)19(27)28;21-9-15-17(14-5-8-29-11-14)23-20(30-15)24-18(26)13-1-2-16(22-10-13)25-6-3-12(4-7-25)19(27)28;20-9-13-15(17-21-5-8-29-17)23-19(30-13)24-16(26)12-1-2-14(22-10-12)25-6-3-11(4-7-25)18(27)28/h1-2,7,9-11H,3-6H2,(H,28,29)(H,24,25,27);1-4,9,11-12H,5-8H2,(H,27,28)(H,23,24,26);1-2,5,8,10-12H,3-4,6-7H2,(H,27,28)(H,23,24,26);1-2,5,8,10-11H,3-4,6-7H2,(H,27,28)(H,23,24,26)
• InChIKey: QNRSZLLHTSMQBR-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 502.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.45
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 175396292) is 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1cc(Cl)cs1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1ccco1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1ccsc1.N#Cc1sc(NC(=O)c2ccc(N3CCC(C(=O)O)CC3)nc2)nc1-c1nccs1.

What is the InChIKey of 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?

The InChIKey is QNRSZLLHTSMQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S2.C20H17N5O4S.C20H17N5O3S2.C19H16N6O3S2/c21-13-7-14(30-10-13)17-15(8-22)31-20(24-17)25-18(27)12-1-2-16(23-9-12)26-5-3-11(4-6-26)19(28)29;21-10-15-17(14-2-1-9-29-14)23-20(30-15)24-18(26)13-3-4-16(22-11-13)25-7-5-12(6-8-25)19(27)28;21-9-15-17(14-5-8-29-11-14)23-20(30-15)24-18(26)13-1-2-16(22-10-13)25-6-3-12(4-7-25)19(27)28;20-9-13-15(17-21-5-8-29-17)23-19(30-13)24-16(26)12-1-2-14(22-10-12)25-6-3-11(4-7-25)18(27)28/h1-2,7,9-11H,3-6H2,(H,28,29)(H,24,25,27);1-4,9,11-12H,5-8H2,(H,27,28)(H,23,24,26);1-2,5,8,10-12H,3-4,6-7H2,(H,27,28)(H,23,24,26);1-2,5,8,10-11H,3-4,6-7H2,(H,27,28)(H,23,24,26).

What are the key properties of 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?

1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 1777.45 g/mol, XLogP of 14.35, 20 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[4-(4-chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 175396292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).