bis(1,3-thiazol-2-yl)methanone

C7H4N2OS2 — CID 13331906

IUPACbis(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1nccs1
InChIInChI=1S/C7H4N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H
InChIKeyJNWGVJCGMNPJHV-UHFFFAOYSA-N
MW196.26 g/mol
LogP1.83
Rot. Bonds2

About bis(1,3-thiazol-2-yl)methanone

bis(1,3-thiazol-2-yl)methanone (PubChem CID 13331906) has the molecular formula C7H4N2OS2 and a molecular weight of 196.26 g/mol. Its IUPAC name is bis(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namebis(1,3-thiazol-2-yl)methanone
PubChem CID13331906
Molecular FormulaC7H4N2OS2
Molecular Weight196.26 g/mol
Exact Mass195.98
IUPAC Namebis(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1nccs1
InChIInChI=1S/C7H4N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H
InChIKeyJNWGVJCGMNPJHV-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(1,3-thiazol-2-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-Acetylthiazole
CID 520108
2-Propionylthiazole
CID 65288
2-Bromo-1-(1,3-thiazol-2-yl)ethan-1-one
CID 2795212
acs.jmedchem.1c00409_ST.679
CID 44415173
2-Amino-1-(1,3-thiazol-2-yl)ethan-1-one hydrochloride
CID 69588562
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 23644661
Ethanone, 2-amino-1-(2-thiazolyl)-
CID 45121815
Thiazole, 2,2'-methylenebis-
CID 642343
1-(1,3-Thiazol-2-yl)prop-2-yn-1-one
CID 45121799
1-(1,3-Thiazol-2-yl)prop-2-en-1-one
CID 118245223
2-(Trifluoroacetyl)thiazole
CID 22106684
2,2-Difluoro-1-(1,3-thiazol-2-YL)ethan-1-one
CID 86658234

Frequently Asked Questions

What is the IUPAC name of bis(1,3-thiazol-2-yl)methanone?
The IUPAC name of bis(1,3-thiazol-2-yl)methanone (CID 13331906) is bis(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for bis(1,3-thiazol-2-yl)methanone?
The canonical SMILES for bis(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)c1nccs1.
What is the InChIKey of bis(1,3-thiazol-2-yl)methanone?
The InChIKey is JNWGVJCGMNPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H.
What are the key properties of bis(1,3-thiazol-2-yl)methanone?
bis(1,3-thiazol-2-yl)methanone has a molecular weight of 196.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 13331906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).