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

C16H17N3S — CID 60870418

IUPACN'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccccc1)c1nccc2sccc12
InChIInChI=1S/C16H17N3S/c17-9-4-11-19(13-5-2-1-3-6-13)16-14-8-12-20-15(14)7-10-18-16/h1-3,5-8,10,12H,4,9,11,17H2
InChIKeyAUMQVQXIGMIZBQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds5

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

N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine (PubChem CID 60870418) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
PubChem CID60870418
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccccc1)c1nccc2sccc12
InChIInChI=1S/C16H17N3S/c17-9-4-11-19(13-5-2-1-3-6-13)16-14-8-12-20-15(14)7-10-18-16/h1-3,5-8,10,12H,4,9,11,17H2
InChIKeyAUMQVQXIGMIZBQ-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine (CID 60870418) is N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine is NCCCN(c1ccccc1)c1nccc2sccc12.
What is the InChIKey of N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The InChIKey is AUMQVQXIGMIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-9-4-11-19(13-5-2-1-3-6-13)16-14-8-12-20-15(14)7-10-18-16/h1-3,5-8,10,12H,4,9,11,17H2.
What are the key properties of N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 60870418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).