4-methyl-1,3-thiazole

C4H5NS — CID 12748

IUPAC4-methyl-1,3-thiazole
SMILESCc1cscn1
InChIInChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKeyQMHIMXFNBOYPND-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.45
Rot. Bonds

About 4-methyl-1,3-thiazole

4-methyl-1,3-thiazole (PubChem CID 12748) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-1,3-thiazole
PubChem CID12748
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name4-methyl-1,3-thiazole
SMILESCc1cscn1
InChIInChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKeyQMHIMXFNBOYPND-UHFFFAOYSA-N
XLogP1.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole?
The IUPAC name of 4-methyl-1,3-thiazole (CID 12748) is 4-methyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-1,3-thiazole?
The canonical SMILES for 4-methyl-1,3-thiazole is Cc1cscn1.
What is the InChIKey of 4-methyl-1,3-thiazole?
The InChIKey is QMHIMXFNBOYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3.
What are the key properties of 4-methyl-1,3-thiazole?
4-methyl-1,3-thiazole has a molecular weight of 99.16 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole is sourced from PubChem (CID 12748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).