2-indol-1-yl-5-methyl-1,3-thiazole

C12H10N2S — CID 86087512

IUPAC2-indol-1-yl-5-methyl-1,3-thiazole
SMILESCc1cnc(-n2ccc3ccccc32)s1
InChIInChI=1S/C12H10N2S/c1-9-8-13-12(15-9)14-7-6-10-4-2-3-5-11(10)14/h2-8H,1H3
InChIKeyNTUAAVWQISVPCF-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.40
Rot. Bonds1

About 2-indol-1-yl-5-methyl-1,3-thiazole

2-indol-1-yl-5-methyl-1,3-thiazole (PubChem CID 86087512) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-indol-1-yl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-indol-1-yl-5-methyl-1,3-thiazole
PubChem CID86087512
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-indol-1-yl-5-methyl-1,3-thiazole
SMILESCc1cnc(-n2ccc3ccccc32)s1
InChIInChI=1S/C12H10N2S/c1-9-8-13-12(15-9)14-7-6-10-4-2-3-5-11(10)14/h2-8H,1H3
InChIKeyNTUAAVWQISVPCF-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-indol-1-yl-5-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

Related Compounds

2-indol-1-yl-6-methyl-1,3-benzothiazole
CID 15048330
1-(3-methyl-4-pyridinyl)indole
CID 59685306
1-pyrazin-2-ylindole
CID 58898193
4-indol-1-yl-5-methoxypyrimidin-2-amine
CID 135203661
1-(6-methoxy-3-pyridinyl)indole
CID 91806975
1-(1H-1,2,4-triazol-5-yl)indole
CID 167408371
1-(4-bromo-1H-pyrazol-5-yl)indole
CID 18401365
4-indol-1-ylisoquinoline
CID 68997324
4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine
CID 23371648
4-indol-1-yl-N,6-dimethylpyridin-2-amine
CID 19029060
2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide
CID 70159125
4,7-di(indol-1-yl)-1,10-phenanthroline
CID 102455108

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-5-methyl-1,3-thiazole?
The IUPAC name of 2-indol-1-yl-5-methyl-1,3-thiazole (CID 86087512) is 2-indol-1-yl-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-indol-1-yl-5-methyl-1,3-thiazole?
The canonical SMILES for 2-indol-1-yl-5-methyl-1,3-thiazole is Cc1cnc(-n2ccc3ccccc32)s1.
What is the InChIKey of 2-indol-1-yl-5-methyl-1,3-thiazole?
The InChIKey is NTUAAVWQISVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-9-8-13-12(15-9)14-7-6-10-4-2-3-5-11(10)14/h2-8H,1H3.
What are the key properties of 2-indol-1-yl-5-methyl-1,3-thiazole?
2-indol-1-yl-5-methyl-1,3-thiazole has a molecular weight of 214.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-5-methyl-1,3-thiazole is sourced from PubChem (CID 86087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).