N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C22H31N3O2S — CID 141248256

IUPACN-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C2CCCCC2)CC1)c1csc(C2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C22H31N3O2S/c26-19(24-22(10-11-22)17-4-2-1-3-5-17)18-14-28-20(23-18)15-8-12-25(13-9-15)21(27)16-6-7-16/h14-17H,1-13H2,(H,24,26)
InChIKeyYEFIYPAWRCKAJX-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.10
Rot. Bonds5

About N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 141248256) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID141248256
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C2CCCCC2)CC1)c1csc(C2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C22H31N3O2S/c26-19(24-22(10-11-22)17-4-2-1-3-5-17)18-14-28-20(23-18)15-8-12-25(13-9-15)21(27)16-6-7-16/h14-17H,1-13H2,(H,24,26)
InChIKeyYEFIYPAWRCKAJX-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
CID 3770311
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(1,4-dimethylpiperazine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 5015255
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 3499057
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
CID 3329153
methyl 2-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 3338980
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3859579
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3847560
N'-(2-chlorobenzoyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3586423
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 141248256) is N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(NC1(C2CCCCC2)CC1)c1csc(C2CCN(C(=O)C3CC3)CC2)n1.
What is the InChIKey of N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YEFIYPAWRCKAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c26-19(24-22(10-11-22)17-4-2-1-3-5-17)18-14-28-20(23-18)15-8-12-25(13-9-15)21(27)16-6-7-16/h14-17H,1-13H2,(H,24,26).
What are the key properties of N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.58 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141248256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).