3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide

C13H15N3OS — CID 174481948

IUPAC3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cscc1N)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-6-10(9-4-2-1-3-5-9)13(17)16-12-8-18-7-11(12)15/h1-5,7-8,10H,6,14-15H2,(H,16,17)
InChIKeyHBWUWTNRXTYWDN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide

3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide (PubChem CID 174481948) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide
PubChem CID174481948
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cscc1N)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-6-10(9-4-2-1-3-5-9)13(17)16-12-8-18-7-11(12)15/h1-5,7-8,10H,6,14-15H2,(H,16,17)
InChIKeyHBWUWTNRXTYWDN-UHFFFAOYSA-N
XLogP2.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
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N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
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CID 103809401
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
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3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
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3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide (CID 174481948) is 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide is NCC(C(=O)Nc1cscc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide?
The InChIKey is HBWUWTNRXTYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-6-10(9-4-2-1-3-5-9)13(17)16-12-8-18-7-11(12)15/h1-5,7-8,10H,6,14-15H2,(H,16,17).
What are the key properties of 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide?
3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide has a molecular weight of 261.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 174481948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).