3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one

C15H18N2OS — CID 116554751

IUPAC3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCCC(N)C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS/c1-2-6-12(16)14(18)9-15-17-13(10-19-15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,16H2,1H3
InChIKeyNCRCAESOKXYFRE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.05
Rot. Bonds6

About 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one

3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one (PubChem CID 116554751) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
PubChem CID116554751
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCCC(N)C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS/c1-2-6-12(16)14(18)9-15-17-13(10-19-15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,16H2,1H3
InChIKeyNCRCAESOKXYFRE-UHFFFAOYSA-N
XLogP3.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-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

(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide
CID 157226633
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
(3S)-3-amino-5-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one;3-methylbenzoic acid;3-methyl-N-[(3S)-5-methylsulfanyl-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pentan-3-yl]benzamide
CID 158586673
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
CID 113391216
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
1-tert-butylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
CID 79819644

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one (CID 116554751) is 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one is CCCC(N)C(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is NCRCAESOKXYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-6-12(16)14(18)9-15-17-13(10-19-15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9,16H2,1H3.
What are the key properties of 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one?
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 274.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 116554751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).