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

C13H16N2OS — CID 82027849

IUPAC3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2CCCN)cc1
InChIInChI=1S/C13H16N2OS/c1-10-3-5-11(6-4-10)12-9-17-13(16)15(12)8-2-7-14/h3-6,9H,2,7-8,14H2,1H3
InChIKeyMMAVXQNAOAEXGV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.23
Rot. Bonds4

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

3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one (PubChem CID 82027849) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
PubChem CID82027849
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2CCCN)cc1
InChIInChI=1S/C13H16N2OS/c1-10-3-5-11(6-4-10)12-9-17-13(16)15(12)8-2-7-14/h3-6,9H,2,7-8,14H2,1H3
InChIKeyMMAVXQNAOAEXGV-UHFFFAOYSA-N
XLogP2.23
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopropyl)-4-(4-methylphenyl)-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

Related Compounds

3-(4-aminobutyl)-4-(4-chlorophenyl)-1,3-thiazol-2-one
CID 82027926
3-(4-aminobutyl)-4-(4-phenylphenyl)-1,3-thiazol-2-one
CID 82027928
3-(4-aminobutyl)-4-(2,4-dimethylphenyl)-1,3-thiazol-2-one
CID 82027932
4-(3-aminophenyl)-3-butyl-1,3-thiazol-2-one
CID 82028048
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
CID 154805740
1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
4-[4-(2,5-dimethylphenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43243704
4-[4-(4-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286997
[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea
CID 15496669
4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one
CID 82028087
3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
CID 82027895
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one (CID 82027849) is 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one is Cc1ccc(-c2csc(=O)n2CCCN)cc1.
What is the InChIKey of 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one?
The InChIKey is MMAVXQNAOAEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-3-5-11(6-4-10)12-9-17-13(16)15(12)8-2-7-14/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one?
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one has a molecular weight of 248.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 82027849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).