4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine

C14H11ClN2S — CID 24878164

IUPAC4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine
SMILESCc1c(-c2ccnc(N)c2)sc2ccc(Cl)cc12
InChIInChI=1S/C14H11ClN2S/c1-8-11-7-10(15)2-3-12(11)18-14(8)9-4-5-17-13(16)6-9/h2-7H,1H3,(H2,16,17)
InChIKeyWEBLNFBGYPOHIG-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.51
Rot. Bonds1

About 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine

4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine (PubChem CID 24878164) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine
PubChem CID24878164
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine
SMILESCc1c(-c2ccnc(N)c2)sc2ccc(Cl)cc12
InChIInChI=1S/C14H11ClN2S/c1-8-11-7-10(15)2-3-12(11)18-14(8)9-4-5-17-13(16)6-9/h2-7H,1H3,(H2,16,17)
InChIKeyWEBLNFBGYPOHIG-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine?
The IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine (CID 24878164) is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine is Cc1c(-c2ccnc(N)c2)sc2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine?
The InChIKey is WEBLNFBGYPOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-8-11-7-10(15)2-3-12(11)18-14(8)9-4-5-17-13(16)6-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine?
4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine has a molecular weight of 274.78 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 24878164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).