3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one

C7H12N2OS — CID 43287109

IUPAC3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCN
InChIInChI=1S/C7H12N2OS/c1-6-5-11-7(10)9(6)4-2-3-8/h5H,2-4,8H2,1H3
InChIKeyUCLFABMGLWYQPK-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.57
Rot. Bonds3

About 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one

3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43287109) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43287109
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCN
InChIInChI=1S/C7H12N2OS/c1-6-5-11-7(10)9(6)4-2-3-8/h5H,2-4,8H2,1H3
InChIKeyUCLFABMGLWYQPK-UHFFFAOYSA-N
XLogP0.57
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopropyl)-4-methyl-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 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one (CID 43287109) is 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCN.
What is the InChIKey of 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is UCLFABMGLWYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6-5-11-7(10)9(6)4-2-3-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one?
3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).