3-methyl-2H-1,3-thiazole

C4H7NS — CID 15407522

IUPAC3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1
InChIInChI=1S/C4H7NS/c1-5-2-3-6-4-5/h2-3H,4H2,1H3
InChIKeySKMUADUXCABNRO-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.09
Rot. Bonds

About 3-methyl-2H-1,3-thiazole

3-methyl-2H-1,3-thiazole (PubChem CID 15407522) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-2H-1,3-thiazole
PubChem CID15407522
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1
InChIInChI=1S/C4H7NS/c1-5-2-3-6-4-5/h2-3H,4H2,1H3
InChIKeySKMUADUXCABNRO-UHFFFAOYSA-N
XLogP1.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2H-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 3-methyl-2H-1,3-thiazole?
The IUPAC name of 3-methyl-2H-1,3-thiazole (CID 15407522) is 3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 3-methyl-2H-1,3-thiazole?
The canonical SMILES for 3-methyl-2H-1,3-thiazole is CN1C=CSC1.
What is the InChIKey of 3-methyl-2H-1,3-thiazole?
The InChIKey is SKMUADUXCABNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-5-2-3-6-4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-2H-1,3-thiazole?
3-methyl-2H-1,3-thiazole has a molecular weight of 101.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 15407522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).