2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole

C12H12N2S — CID 974879

IUPAC2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCc3ccccc32)n1
InChIInChI=1S/C12H12N2S/c1-9-8-15-12(13-9)14-7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3
InChIKeyMOJSNJDAVCXHMW-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.15
Rot. Bonds1

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

2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole (PubChem CID 974879) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole
PubChem CID974879
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCc3ccccc32)n1
InChIInChI=1S/C12H12N2S/c1-9-8-15-12(13-9)14-7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3
InChIKeyMOJSNJDAVCXHMW-UHFFFAOYSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole (CID 974879) is 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole is Cc1csc(N2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is MOJSNJDAVCXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-8-15-12(13-9)14-7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole?
2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 216.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 974879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).