(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone

C9H5ClN2OS — CID 105081414

IUPAC(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1ccccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9(13)8-5-11-14-12-8/h1-5H
InChIKeyQHTTXROCRMVQMY-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.42
Rot. Bonds2

About (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone

(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105081414) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105081414
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1ccccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9(13)8-5-11-14-12-8/h1-5H
InChIKeyQHTTXROCRMVQMY-UHFFFAOYSA-N
XLogP2.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone 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

(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105094942
(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105097627
(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone
CID 12013130
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
CID 972624
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
CID 135008562
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
CID 22152229

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone (CID 105081414) is (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is QHTTXROCRMVQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-7-4-2-1-3-6(7)9(13)8-5-11-14-12-8/h1-5H.
What are the key properties of (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone?
(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 224.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105081414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).