1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H27N3O2S — CID 25481173

IUPAC1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1
InChIInChI=1S/C22H27N3O2S/c1-14(2)15-3-5-16(6-4-15)19-13-28-22(23-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,13-14,17-18H,7-12H2,1-2H3,(H,23,24,26)
InChIKeyZIGMBAVHDKRSAV-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.52
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 25481173) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID25481173
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1
InChIInChI=1S/C22H27N3O2S/c1-14(2)15-3-5-16(6-4-15)19-13-28-22(23-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,13-14,17-18H,7-12H2,1-2H3,(H,23,24,26)
InChIKeyZIGMBAVHDKRSAV-UHFFFAOYSA-N
XLogP4.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
1-(3-methylsulfonylphenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16828570
4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46491446
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55567674
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
(1R,2R,3R,4S)-3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 1223499
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071688

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 25481173) is 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ZIGMBAVHDKRSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-14(2)15-3-5-16(6-4-15)19-13-28-22(23-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,13-14,17-18H,7-12H2,1-2H3,(H,23,24,26).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25481173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).