6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole

C15H14ClNS — CID 131886904

IUPAC6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole
SMILESCCc1ccc(-c2cc3ccc(Cl)c(C)c3[nH]2)s1
InChIInChI=1S/C15H14ClNS/c1-3-11-5-7-14(18-11)13-8-10-4-6-12(16)9(2)15(10)17-13/h4-8,17H,3H2,1-2H3
InChIKeyUHHHJMBMPWATGO-UHFFFAOYSA-N
MW275.80 g/mol
LogP5.42
Rot. Bonds2

About 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole

6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole (PubChem CID 131886904) has the molecular formula C15H14ClNS and a molecular weight of 275.80 g/mol. Its IUPAC name is 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole.

Molecular Properties

Compound Name6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole
PubChem CID131886904
Molecular FormulaC15H14ClNS
Molecular Weight275.80 g/mol
Exact Mass275.05
IUPAC Name6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole
SMILESCCc1ccc(-c2cc3ccc(Cl)c(C)c3[nH]2)s1
InChIInChI=1S/C15H14ClNS/c1-3-11-5-7-14(18-11)13-8-10-4-6-12(16)9(2)15(10)17-13/h4-8,17H,3H2,1-2H3
InChIKeyUHHHJMBMPWATGO-UHFFFAOYSA-N
XLogP5.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.80
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-7-methyl-2-(trifluoromethyl)-1H-indole
CID 84627615
1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177
4-(5-ethylthiophen-2-yl)-3H-1,3-oxazole-2-thione
CID 106799053
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
CID 66313212
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133
1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
CID 83868171
4,6-dichloro-5-ethyl-2-(5-ethylthiophen-2-yl)pyrimidine
CID 63613023
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
2,5-diethylthiophene
CID 521294
6-methyl-2-(5-propan-2-ylthiophen-2-yl)-1H-indole
CID 70851531
5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine
CID 63047813
4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66198818

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole?
The IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole (CID 131886904) is 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole.
What is the SMILES notation for 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole?
The canonical SMILES for 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole is CCc1ccc(-c2cc3ccc(Cl)c(C)c3[nH]2)s1.
What is the InChIKey of 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole?
The InChIKey is UHHHJMBMPWATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNS/c1-3-11-5-7-14(18-11)13-8-10-4-6-12(16)9(2)15(10)17-13/h4-8,17H,3H2,1-2H3.
What are the key properties of 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole?
6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole has a molecular weight of 275.80 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-ethylthiophen-2-yl)-7-methyl-1H-indole is sourced from PubChem (CID 131886904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).