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

C19H21ClN4O2S — CID 3219477

IUPACN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O2S/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)
InChIKeyQISRQDXJHVEQNL-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.62
Rot. Bonds7

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

N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 3219477) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID3219477
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC NameN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O2S/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)
InChIKeyQISRQDXJHVEQNL-UHFFFAOYSA-N
XLogP3.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid (tert-butylcarbamoyl-p-tolyl-methyl)-cyclopropyl-amide
CID 3219449
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 1467648
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
[1,2,3]Thiadiazole-4-carboxylic acid (5-chloro-2-methyl-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 3222122
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(4-isopropyl-phenyl)-methyl]-cyclopropyl-amide
CID 3222380
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 3219477) is N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is QISRQDXJHVEQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/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).
What are the key properties of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 3219477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).