N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C24H26N4O2S — CID 1459374

IUPACN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2cccnc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)s1
InChIInChI=1S/C24H26N4O2S/c1-16-22(31-17(2)26-16)24(30)28(20-13-8-14-25-15-20)21(18-9-4-3-5-10-18)23(29)27-19-11-6-7-12-19/h3-5,8-10,13-15,19,21H,6-7,11-12H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyZMYOZGUVFKKEKZ-NRFANRHFSA-N
MW434.57 g/mol
LogP4.60
Rot. Bonds6

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1459374) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1459374
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2cccnc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)s1
InChIInChI=1S/C24H26N4O2S/c1-16-22(31-17(2)26-16)24(30)28(20-13-8-14-25-15-20)21(18-9-4-3-5-10-18)23(29)27-19-11-6-7-12-19/h3-5,8-10,13-15,19,21H,6-7,11-12H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyZMYOZGUVFKKEKZ-NRFANRHFSA-N
XLogP4.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 3868737
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3816372
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457919
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315464
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215422
N-(3-chloro-4-methoxyphenyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215419
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
CID 3215262

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1459374) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(c2cccnc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)s1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZMYOZGUVFKKEKZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-22(31-17(2)26-16)24(30)28(20-13-8-14-25-15-20)21(18-9-4-3-5-10-18)23(29)27-19-11-6-7-12-19/h3-5,8-10,13-15,19,21H,6-7,11-12H2,1-2H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1459374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).