4-(2-aminobutyl)-3H-1,3-thiazol-2-one

C7H12N2OS — CID 103113124

IUPAC4-(2-aminobutyl)-3H-1,3-thiazol-2-one
SMILESCCC(N)Cc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-2-5(8)3-6-4-11-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyONKKBIFGXKPFKF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.72
Rot. Bonds3

About 4-(2-aminobutyl)-3H-1,3-thiazol-2-one

4-(2-aminobutyl)-3H-1,3-thiazol-2-one (PubChem CID 103113124) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(2-aminobutyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-aminobutyl)-3H-1,3-thiazol-2-one
PubChem CID103113124
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(2-aminobutyl)-3H-1,3-thiazol-2-one
SMILESCCC(N)Cc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-2-5(8)3-6-4-11-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyONKKBIFGXKPFKF-UHFFFAOYSA-N
XLogP0.72
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminobutyl)-3H-1,3-thiazol-2-one 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 4-(2-aminobutyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-aminobutyl)-3H-1,3-thiazol-2-one (CID 103113124) is 4-(2-aminobutyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-aminobutyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-aminobutyl)-3H-1,3-thiazol-2-one is CCC(N)Cc1csc(=O)[nH]1.
What is the InChIKey of 4-(2-aminobutyl)-3H-1,3-thiazol-2-one?
The InChIKey is ONKKBIFGXKPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-5(8)3-6-4-11-7(10)9-6/h4-5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 4-(2-aminobutyl)-3H-1,3-thiazol-2-one?
4-(2-aminobutyl)-3H-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).