(3-chlorophenyl)-(thiadiazol-4-yl)methanone

C9H5ClN2OS — CID 105082748

IUPAC(3-chlorophenyl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1csnn1
InChIInChI=1S/C9H5ClN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5H
InChIKeyPAXIDLNBDOUVJK-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.42
Rot. Bonds2

About (3-chlorophenyl)-(thiadiazol-4-yl)methanone

(3-chlorophenyl)-(thiadiazol-4-yl)methanone (PubChem CID 105082748) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is (3-chlorophenyl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(thiadiazol-4-yl)methanone
PubChem CID105082748
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name(3-chlorophenyl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1csnn1
InChIInChI=1S/C9H5ClN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5H
InChIKeyPAXIDLNBDOUVJK-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 (3-chlorophenyl)-(thiadiazol-4-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

(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
CID 167871628
CID 24798848
CID 24798848
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
4-(3-chlorobenzoyl)-1H-pyrrole-2-carbaldehyde
CID 82389894
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
3-chloro-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214609
(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
CID 105097483
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
(Z)-3-amino-3-(3-chlorophenyl)prop-2-enoic acid
CID 69004283

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(thiadiazol-4-yl)methanone (CID 105082748) is (3-chlorophenyl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(thiadiazol-4-yl)methanone is O=C(c1cccc(Cl)c1)c1csnn1.
What is the InChIKey of (3-chlorophenyl)-(thiadiazol-4-yl)methanone?
The InChIKey is PAXIDLNBDOUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5H.
What are the key properties of (3-chlorophenyl)-(thiadiazol-4-yl)methanone?
(3-chlorophenyl)-(thiadiazol-4-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 (3-chlorophenyl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105082748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).