2-(1,3-thiazol-4-ylmethylamino)propanamide

C7H11N3OS — CID 60767070

IUPAC2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCC(NCc1cscn1)C(N)=O
InChIInChI=1S/C7H11N3OS/c1-5(7(8)11)9-2-6-3-12-4-10-6/h3-5,9H,2H2,1H3,(H2,8,11)
InChIKeyBQEXMXMLBDEEOZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.11
Rot. Bonds4

About 2-(1,3-thiazol-4-ylmethylamino)propanamide

2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 60767070) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID60767070
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCC(NCc1cscn1)C(N)=O
InChIInChI=1S/C7H11N3OS/c1-5(7(8)11)9-2-6-3-12-4-10-6/h3-5,9H,2H2,1H3,(H2,8,11)
InChIKeyBQEXMXMLBDEEOZ-UHFFFAOYSA-N
XLogP0.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-thiazol-4-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of 2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 60767070) is 2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethylamino)propanamide is CC(NCc1cscn1)C(N)=O.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is BQEXMXMLBDEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(7(8)11)9-2-6-3-12-4-10-6/h3-5,9H,2H2,1H3,(H2,8,11).
What are the key properties of 2-(1,3-thiazol-4-ylmethylamino)propanamide?
2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 185.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 60767070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).