2-amino-3-(5-methylthiophen-3-yl)propanamide

C8H12N2OS — CID 130558207

IUPAC2-amino-3-(5-methylthiophen-3-yl)propanamide
SMILESCc1cc(CC(N)C(N)=O)cs1
InChIInChI=1S/C8H12N2OS/c1-5-2-6(4-12-5)3-7(9)8(10)11/h2,4,7H,3,9H2,1H3,(H2,10,11)
InChIKeyLESIHXWWNFMJET-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3-(5-methylthiophen-3-yl)propanamide

2-amino-3-(5-methylthiophen-3-yl)propanamide (PubChem CID 130558207) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-3-(5-methylthiophen-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(5-methylthiophen-3-yl)propanamide
PubChem CID130558207
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-3-(5-methylthiophen-3-yl)propanamide
SMILESCc1cc(CC(N)C(N)=O)cs1
InChIInChI=1S/C8H12N2OS/c1-5-2-6(4-12-5)3-7(9)8(10)11/h2,4,7H,3,9H2,1H3,(H2,10,11)
InChIKeyLESIHXWWNFMJET-UHFFFAOYSA-N
XLogP0.41
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methylthiophen-3-yl)propanamide?
The IUPAC name of 2-amino-3-(5-methylthiophen-3-yl)propanamide (CID 130558207) is 2-amino-3-(5-methylthiophen-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(5-methylthiophen-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(5-methylthiophen-3-yl)propanamide is Cc1cc(CC(N)C(N)=O)cs1.
What is the InChIKey of 2-amino-3-(5-methylthiophen-3-yl)propanamide?
The InChIKey is LESIHXWWNFMJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-2-6(4-12-5)3-7(9)8(10)11/h2,4,7H,3,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-3-(5-methylthiophen-3-yl)propanamide?
2-amino-3-(5-methylthiophen-3-yl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methylthiophen-3-yl)propanamide is sourced from PubChem (CID 130558207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).