N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine

C16H17N3S — CID 62501996

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESNCCc1ccc(CNc2nccc3sccc23)cc1
InChIInChI=1S/C16H17N3S/c17-8-5-12-1-3-13(4-2-12)11-19-16-14-7-10-20-15(14)6-9-18-16/h1-4,6-7,9-10H,5,8,11,17H2,(H,18,19)
InChIKeyBQWGQSJRCWPVOR-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine

N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 62501996) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID62501996
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESNCCc1ccc(CNc2nccc3sccc23)cc1
InChIInChI=1S/C16H17N3S/c17-8-5-12-1-3-13(4-2-12)11-19-16-14-7-10-20-15(14)6-9-18-16/h1-4,6-7,9-10H,5,8,11,17H2,(H,18,19)
InChIKeyBQWGQSJRCWPVOR-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine (CID 62501996) is N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine is NCCc1ccc(CNc2nccc3sccc23)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is BQWGQSJRCWPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-8-5-12-1-3-13(4-2-12)11-19-16-14-7-10-20-15(14)6-9-18-16/h1-4,6-7,9-10H,5,8,11,17H2,(H,18,19).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 62501996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).