3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C13H14N2S — CID 45117633

IUPAC3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1sc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C13H14N2S/c14-13-12(9-5-7-15-8-6-9)10-3-1-2-4-11(10)16-13/h5-8H,1-4,14H2
InChIKeyPVUWUSGUNXBCGJ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.27
Rot. Bonds1

About 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 45117633) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID45117633
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1sc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C13H14N2S/c14-13-12(9-5-7-15-8-6-9)10-3-1-2-4-11(10)16-13/h5-8H,1-4,14H2
InChIKeyPVUWUSGUNXBCGJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Thienyl)pyridine
CID 595254
3-(2-Thienyl)pyridine
CID 595145
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
N-(2-Thienylmethyl)-4-pyridinemethanamine
CID 964916
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine
CID 44388719
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
CID 11310529

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 45117633) is 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Nc1sc2c(c1-c1ccncc1)CCCC2.
What is the InChIKey of 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is PVUWUSGUNXBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-13-12(9-5-7-15-8-6-9)10-3-1-2-4-11(10)16-13/h5-8H,1-4,14H2.
What are the key properties of 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 45117633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).