N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine

C16H16N2S — CID 54931071

IUPACN-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(CCCNc2nccc3sccc23)cc1
InChIInChI=1S/C16H16N2S/c1-2-5-13(6-3-1)7-4-10-17-16-14-9-12-19-15(14)8-11-18-16/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,17,18)
InChIKeyXNHXWVWJKPXVIZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.34
Rot. Bonds5

About N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine

N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 54931071) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
PubChem CID54931071
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC NameN-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(CCCNc2nccc3sccc23)cc1
InChIInChI=1S/C16H16N2S/c1-2-5-13(6-3-1)7-4-10-17-16-14-9-12-19-15(14)8-11-18-16/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,17,18)
InChIKeyXNHXWVWJKPXVIZ-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 112730428
N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54905473
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 62501996
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 65027465
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 113442432
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 83029559

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine (CID 54931071) is N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine is c1ccc(CCCNc2nccc3sccc23)cc1.
What is the InChIKey of N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is XNHXWVWJKPXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-5-13(6-3-1)7-4-10-17-16-14-9-12-19-15(14)8-11-18-16/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,17,18).
What are the key properties of N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine?
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 268.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 54931071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).