(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one

C8H12N2OS — CID 58135690

IUPAC(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCCC(=O)[C@@H](N)Cc1cscn1
InChIInChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-12-5-10-6/h4-5,7H,2-3,9H2,1H3/t7-/m0/s1
InChIKeyANQTYKJKTJNUKI-ZETCQYMHSA-N
MW184.26 g/mol
LogP0.99
Rot. Bonds4

About (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one

(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one (PubChem CID 58135690) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one
PubChem CID58135690
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCCC(=O)[C@@H](N)Cc1cscn1
InChIInChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-12-5-10-6/h4-5,7H,2-3,9H2,1H3/t7-/m0/s1
InChIKeyANQTYKJKTJNUKI-ZETCQYMHSA-N
XLogP0.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-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 (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one?
The IUPAC name of (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one (CID 58135690) is (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one?
The canonical SMILES for (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one is CCC(=O)[C@@H](N)Cc1cscn1.
What is the InChIKey of (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one?
The InChIKey is ANQTYKJKTJNUKI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-12-5-10-6/h4-5,7H,2-3,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one?
(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one has a molecular weight of 184.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one is sourced from PubChem (CID 58135690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).