N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

C19H21FN4O2S — CID 1467762

IUPACN-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c1-2-11-24(19(26)16-12-27-23-22-16)17(13-7-9-14(20)10-8-13)18(25)21-15-5-3-4-6-15/h2,7-10,12,15,17H,1,3-6,11H2,(H,21,25)/t17-/m1/s1
InChIKeyOOFNOKFSQDDKBH-QGZVFWFLSA-N
MW388.47 g/mol
LogP3.11
Rot. Bonds7

About N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 1467762) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID1467762
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c1-2-11-24(19(26)16-12-27-23-22-16)17(13-7-9-14(20)10-8-13)18(25)21-15-5-3-4-6-15/h2,7-10,12,15,17H,1,3-6,11H2,(H,21,25)/t17-/m1/s1
InChIKeyOOFNOKFSQDDKBH-QGZVFWFLSA-N
XLogP3.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 1467760
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 7435195
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219338
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 7435179
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3222505
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 25410008
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
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-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 1467762) is N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is OOFNOKFSQDDKBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-11-24(19(26)16-12-27-23-22-16)17(13-7-9-14(20)10-8-13)18(25)21-15-5-3-4-6-15/h2,7-10,12,15,17H,1,3-6,11H2,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 1467762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).