2-(1H-indol-3-yl)-4-methyl-1,3-thiazole

C12H10N2S — CID 135780286

IUPAC2-(1H-indol-3-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H10N2S/c1-8-7-15-12(14-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyVFVXGZUXMYDACX-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole

2-(1H-indol-3-yl)-4-methyl-1,3-thiazole (PubChem CID 135780286) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-4-methyl-1,3-thiazole
PubChem CID135780286
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(1H-indol-3-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H10N2S/c1-8-7-15-12(14-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyVFVXGZUXMYDACX-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-3-yl)-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 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole (CID 135780286) is 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole?
The InChIKey is VFVXGZUXMYDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-7-15-12(14-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole?
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole has a molecular weight of 214.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 135780286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).