N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

C21H22N4O2S2 — CID 1452011

IUPACN-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCc1ccsc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C21H22N4O2S2/c1-14-11-12-28-19(14)18(20(26)22-15-7-5-6-8-15)25(16-9-3-2-4-10-16)21(27)17-13-29-24-23-17/h2-4,9-13,15,18H,5-8H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyNERFUQPNKIFVDY-SFHVURJKSA-N
MW426.57 g/mol
LogP4.35
Rot. Bonds6

About N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 1452011) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID1452011
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC NameN-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCc1ccsc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C21H22N4O2S2/c1-14-11-12-28-19(14)18(20(26)22-15-7-5-6-8-15)25(16-9-3-2-4-10-16)21(27)17-13-29-24-23-17/h2-4,9-13,15,18H,5-8H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyNERFUQPNKIFVDY-SFHVURJKSA-N
XLogP4.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792303
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 7435195
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 1452011) is N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is Cc1ccsc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is NERFUQPNKIFVDY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c1-14-11-12-28-19(14)18(20(26)22-15-7-5-6-8-15)25(16-9-3-2-4-10-16)21(27)17-13-29-24-23-17/h2-4,9-13,15,18H,5-8H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 1452011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).