N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide

C27H33N5O2S — CID 171673716

IUPACN-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CCC[C@@H]1c1nc(C(=O)Nc2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C27H33N5O2S/c1-18(2)32-24(14-15-28-32)27(34)31-16-6-9-23(31)26-30-22(17-35-26)25(33)29-21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17-19,23H,3-9,16H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyPQIXGGIYMOUMIF-HSZRJFAPSA-N
MW491.66 g/mol
LogP6.20
Rot. Bonds6

About N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide

N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171673716) has the molecular formula C27H33N5O2S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID171673716
Molecular FormulaC27H33N5O2S
Molecular Weight491.66 g/mol
Exact Mass491.24
IUPAC NameN-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CCC[C@@H]1c1nc(C(=O)Nc2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C27H33N5O2S/c1-18(2)32-24(14-15-28-32)27(34)31-16-6-9-23(31)26-30-22(17-35-26)25(33)29-21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17-19,23H,3-9,16H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyPQIXGGIYMOUMIF-HSZRJFAPSA-N
XLogP6.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-4-[4-[(2-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]piperidine-1-carboxamide
CID 171673722
N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 171682883
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
N-(4-cyclohexylphenyl)-2-[2-(2-propan-2-ylpyrazole-3-carbonyl)-2-azaspiro[3.4]octan-5-yl]acetamide
CID 171682840
2-[(2R)-1-(2,3-diaminopropanoyl)pyrrolidin-2-yl]-N-(2,2-dimethylchromen-6-yl)-1,3-thiazole-4-carboxamide
CID 171673897
N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 5041446
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908
N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
CID 171680050
[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 110092245
1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone
CID 137473011
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide (CID 171673716) is N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide is CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1nc(C(=O)Nc2ccc(C3CCCCC3)cc2)cs1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PQIXGGIYMOUMIF-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33N5O2S/c1-18(2)32-24(14-15-28-32)27(34)31-16-6-9-23(31)26-30-22(17-35-26)25(33)29-21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17-19,23H,3-9,16H2,1-2H3,(H,29,33)/t23-/m1/s1.
What are the key properties of N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 491.66 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-[(2R)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171673716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).