2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine

C14H12N2S — CID 115113984

IUPAC2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
SMILESCc1cccc2sc(-c3cc(N)ccn3)cc12
InChIInChI=1S/C14H12N2S/c1-9-3-2-4-13-11(9)8-14(17-13)12-7-10(15)5-6-16-12/h2-8H,1H3,(H2,15,16)
InChIKeyORHMLMFTPYUDCS-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

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

2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine (PubChem CID 115113984) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
PubChem CID115113984
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
SMILESCc1cccc2sc(-c3cc(N)ccn3)cc12
InChIInChI=1S/C14H12N2S/c1-9-3-2-4-13-11(9)8-14(17-13)12-7-10(15)5-6-16-12/h2-8H,1H3,(H2,15,16)
InChIKeyORHMLMFTPYUDCS-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(4-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
CID 115110015
2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113755
2-(4-fluoro-1-benzothiophen-2-yl)pyridine
CID 102139061
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049
2-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridin-4-amine
CID 132552646
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
2-pyridin-2-ylpyridin-4-amine
CID 1236680
2-tert-butyl-4-methyl-1-benzothiophene
CID 20747379
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
CID 117194333
2,6-bis(4-amino-2-pyridinyl)pyridin-4-amine
CID 69016245
2-(2-methoxy-3,4-dimethylphenyl)pyridin-4-amine
CID 103434063
2-(1,3-oxazol-4-yl)thieno[3,2-c]pyridin-4-amine
CID 119089210

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine?
The IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine (CID 115113984) is 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine?
The canonical SMILES for 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine is Cc1cccc2sc(-c3cc(N)ccn3)cc12.
What is the InChIKey of 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine?
The InChIKey is ORHMLMFTPYUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-3-2-4-13-11(9)8-14(17-13)12-7-10(15)5-6-16-12/h2-8H,1H3,(H2,15,16).
What are the key properties of 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine?
2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine has a molecular weight of 240.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine is sourced from PubChem (CID 115113984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).