N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide

C27H31N5O3S — CID 11634808

IUPACN-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3ccncn3)C2)n1
InChIInChI=1S/C27H31N5O3S/c1-35-24-10-9-19(18-6-3-2-4-7-18)14-21(24)23-16-36-27(30-23)31-25(33)20-8-5-13-32(15-20)26(34)22-11-12-28-17-29-22/h9-12,14,16-18,20H,2-8,13,15H2,1H3,(H,30,31,33)
InChIKeyDEEOSPIQFYSNIA-UHFFFAOYSA-N
MW505.64 g/mol
LogP5.15
Rot. Bonds6

About N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide

N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 11634808) has the molecular formula C27H31N5O3S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide
PubChem CID11634808
Molecular FormulaC27H31N5O3S
Molecular Weight505.64 g/mol
Exact Mass505.21
IUPAC NameN-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3ccncn3)C2)n1
InChIInChI=1S/C27H31N5O3S/c1-35-24-10-9-19(18-6-3-2-4-7-18)14-21(24)23-16-36-27(30-23)31-25(33)20-8-5-13-32(15-20)26(34)22-11-12-28-17-29-22/h9-12,14,16-18,20H,2-8,13,15H2,1H3,(H,30,31,33)
InChIKeyDEEOSPIQFYSNIA-UHFFFAOYSA-N
XLogP5.15
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
(3S)-3-[[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 87679769
N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 59421381
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861657
(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962716
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
(3R)-1-(2-amino-2-oxoethyl)-N-[4-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 92614385
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55777019
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984295

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide (CID 11634808) is N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide is COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)C2CCCN(C(=O)c3ccncn3)C2)n1.
What is the InChIKey of N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is DEEOSPIQFYSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S/c1-35-24-10-9-19(18-6-3-2-4-7-18)14-21(24)23-16-36-27(30-23)31-25(33)20-8-5-13-32(15-20)26(34)22-11-12-28-17-29-22/h9-12,14,16-18,20H,2-8,13,15H2,1H3,(H,30,31,33).
What are the key properties of N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide?
N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 505.64 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(pyrimidine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 11634808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).