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

C13H12ClNS — CID 3505165

IUPAC5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1cc(Cl)cc2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12ClNS/c1-8-5-10(14)6-9-7-11(15-13(8)9)12-3-2-4-16-12/h2-6,11,15H,7H2,1H3
InChIKeyYVKZBZBJUXOBSU-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.42
Rot. Bonds1

About 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole

5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (PubChem CID 3505165) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
PubChem CID3505165
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1cc(Cl)cc2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12ClNS/c1-8-5-10(14)6-9-7-11(15-13(8)9)12-3-2-4-16-12/h2-6,11,15H,7H2,1H3
InChIKeyYVKZBZBJUXOBSU-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

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Launch Full Analysis

Related Compounds

7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3980200
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3591204
7-propan-2-yl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 4556277
7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 4646871
5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
CID 3950781
5-thiophen-2-yl-3-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazole
CID 18175535
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 115285789
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
7-methyl-2-pyridin-4-yl-2,3-dihydro-1H-indole
CID 4591288
(2S)-2-thiophen-2-ylaziridine
CID 55263035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (CID 3505165) is 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is Cc1cc(Cl)cc2c1NC(c1cccs1)C2.
What is the InChIKey of 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The InChIKey is YVKZBZBJUXOBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-8-5-10(14)6-9-7-11(15-13(8)9)12-3-2-4-16-12/h2-6,11,15H,7H2,1H3.
What are the key properties of 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
5-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 5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3505165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).