2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

C9H10N2S3 — CID 78766347

IUPAC2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2csc(C)n2)n1
InChIInChI=1S/C9H10N2S3/c1-6-3-13-9(10-6)14-5-8-4-12-7(2)11-8/h3-4H,5H2,1-2H3
InChIKeyPFQWBXKBOOMGKR-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 78766347) has the molecular formula C9H10N2S3 and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID78766347
Molecular FormulaC9H10N2S3
Molecular Weight242.39 g/mol
Exact Mass242.00
IUPAC Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2csc(C)n2)n1
InChIInChI=1S/C9H10N2S3/c1-6-3-13-9(10-6)14-5-8-4-12-7(2)11-8/h3-4H,5H2,1-2H3
InChIKeyPFQWBXKBOOMGKR-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-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 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (CID 78766347) is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is Cc1csc(SCc2csc(C)n2)n1.
What is the InChIKey of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is PFQWBXKBOOMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S3/c1-6-3-13-9(10-6)14-5-8-4-12-7(2)11-8/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 242.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 78766347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).