6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole

C13H12ClNS — CID 3618708

IUPAC6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12ClNS/c1-8-10(14)5-4-9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3
InChIKeyMVJHPSSZIBGYFV-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.42
Rot. Bonds1

About 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole

6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (PubChem CID 3618708) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
PubChem CID3618708
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12ClNS/c1-8-10(14)5-4-9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3
InChIKeyMVJHPSSZIBGYFV-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole 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

7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3980200
5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3505165
7-propan-2-yl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 4556277
6-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030559
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3591204
6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4017058
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
2-tert-butyl-6-chloro-7-methyl-2,3-dihydro-1H-indole
CID 4575819
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3427840
(2S)-2-thiophen-2-ylaziridine
CID 55263035
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 115285789
7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 4646871

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (CID 3618708) is 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is Cc1c(Cl)ccc2c1NC(c1cccs1)C2.
What is the InChIKey of 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The InChIKey is MVJHPSSZIBGYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-8-10(14)5-4-9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3.
What are the key properties of 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole has a molecular weight of 249.77 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3618708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).