N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide

C24H26N4O2S — CID 25410432

IUPACN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2S/c1-16-12-13-17(2)21(14-16)28(24(30)20-15-31-27-26-20)22(18-8-4-3-5-9-18)23(29)25-19-10-6-7-11-19/h3-5,8-9,12-15,19,22H,6-7,10-11H2,1-2H3,(H,25,29)/t22-/m0/s1
InChIKeyHDHARMTWFCVZIO-QFIPXVFZSA-N
MW434.57 g/mol
LogP4.60
Rot. Bonds6

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 25410432) 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]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID25410432
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2S/c1-16-12-13-17(2)21(14-16)28(24(30)20-15-31-27-26-20)22(18-8-4-3-5-9-18)23(29)25-19-10-6-7-11-19/h3-5,8-9,12-15,19,22H,6-7,10-11H2,1-2H3,(H,25,29)/t22-/m0/s1
InChIKeyHDHARMTWFCVZIO-QFIPXVFZSA-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-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219264
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221899
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219250
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide (CID 25410432) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is HDHARMTWFCVZIO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-12-13-17(2)21(14-16)28(24(30)20-15-31-27-26-20)22(18-8-4-3-5-9-18)23(29)25-19-10-6-7-11-19/h3-5,8-9,12-15,19,22H,6-7,10-11H2,1-2H3,(H,25,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-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]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 25410432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).