2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide

C24H29N5O2S2 — CID 3859579

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nc(-c2cccs2)cc1NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C24H29N5O2S2/c1-28-21(14-18(27-28)20-8-5-13-32-20)26-22(30)19-15-33-23(25-19)16-9-11-29(12-10-16)24(31)17-6-3-2-4-7-17/h5,8,13-17H,2-4,6-7,9-12H2,1H3,(H,26,30)
InChIKeyDNIVMRCKKVIFSO-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.14
Rot. Bonds5

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3859579) has the molecular formula C24H29N5O2S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID3859579
Molecular FormulaC24H29N5O2S2
Molecular Weight483.66 g/mol
Exact Mass483.18
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nc(-c2cccs2)cc1NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C24H29N5O2S2/c1-28-21(14-18(27-28)20-8-5-13-32-20)26-22(30)19-15-33-23(25-19)16-9-11-29(12-10-16)24(31)17-6-3-2-4-7-17/h5,8,13-17H,2-4,6-7,9-12H2,1H3,(H,26,30)
InChIKeyDNIVMRCKKVIFSO-UHFFFAOYSA-N
XLogP5.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 3859579) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide is Cn1nc(-c2cccs2)cc1NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DNIVMRCKKVIFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S2/c1-28-21(14-18(27-28)20-8-5-13-32-20)26-22(30)19-15-33-23(25-19)16-9-11-29(12-10-16)24(31)17-6-3-2-4-7-17/h5,8,13-17H,2-4,6-7,9-12H2,1H3,(H,26,30).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).