2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine

C16H17N3S — CID 105060736

IUPAC2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
SMILESCC(CN)(Nc1nccc2sccc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-16(11-17,12-5-3-2-4-6-12)19-15-13-8-10-20-14(13)7-9-18-15/h2-10H,11,17H2,1H3,(H,18,19)
InChIKeyGLBCPFLQYBIRLR-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.58
Rot. Bonds4

About 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine

2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine (PubChem CID 105060736) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
PubChem CID105060736
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
SMILESCC(CN)(Nc1nccc2sccc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-16(11-17,12-5-3-2-4-6-12)19-15-13-8-10-20-14(13)7-9-18-15/h2-10H,11,17H2,1H3,(H,18,19)
InChIKeyGLBCPFLQYBIRLR-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine (CID 105060736) is 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine is CC(CN)(Nc1nccc2sccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine?
The InChIKey is GLBCPFLQYBIRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-16(11-17,12-5-3-2-4-6-12)19-15-13-8-10-20-14(13)7-9-18-15/h2-10H,11,17H2,1H3,(H,18,19).
What are the key properties of 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine?
2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 105060736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).