2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide

C25H31N3O2S — CID 23789984

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C25H31N3O2S/c29-23(26-21-11-10-17-6-4-5-9-20(17)21)22-16-31-24(27-22)18-12-14-28(15-13-18)25(30)19-7-2-1-3-8-19/h4-6,9,16,18-19,21H,1-3,7-8,10-15H2,(H,26,29)
InChIKeyYDNXEFDVUSATFP-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.85
Rot. Bonds4

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 23789984) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID23789984
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C25H31N3O2S/c29-23(26-21-11-10-17-6-4-5-9-20(17)21)22-16-31-24(27-22)18-12-14-28(15-13-18)25(30)19-7-2-1-3-8-19/h4-6,9,16,18-19,21H,1-3,7-8,10-15H2,(H,26,29)
InChIKeyYDNXEFDVUSATFP-UHFFFAOYSA-N
XLogP4.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3350550
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23734959
2-[1-[2-(2-chlorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 4983271
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3701357
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 169223095
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
CID 3329153
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 141248256
1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
CID 3770311
2-(cyclohexylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 57480048
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(1,4-dimethylpiperazine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 5015255

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide (CID 23789984) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCc2ccccc21)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YDNXEFDVUSATFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c29-23(26-21-11-10-17-6-4-5-9-20(17)21)22-16-31-24(27-22)18-12-14-28(15-13-18)25(30)19-7-2-1-3-8-19/h4-6,9,16,18-19,21H,1-3,7-8,10-15H2,(H,26,29).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23789984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).