2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C13H13ClN2OS — CID 105078086

IUPAC2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUTLOPPZHSPKMCD-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105078086) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105078086
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyUTLOPPZHSPKMCD-UHFFFAOYSA-N
XLogP3.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone 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

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105103824
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105089373
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105118611
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105083649
1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-one
CID 105086892
2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105107368
N-(2-chloropyrimidin-4-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 116798479
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
CID 81157445
N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206802
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105134131
N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 154875315
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105078086) is 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CC(C)c1nnsc1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is UTLOPPZHSPKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 280.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105078086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).