2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

C13H15N3OS — CID 139386677

IUPAC2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c1-2-10(14)12(17)16-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2,14H2,1H3,(H,15,16,17)
InChIKeyLDFJNDRIHCTHKV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 139386677) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID139386677
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c1-2-10(14)12(17)16-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2,14H2,1H3,(H,15,16,17)
InChIKeyLDFJNDRIHCTHKV-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide 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
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
CID 175099310
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 75074322
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 135422813
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (CID 139386677) is 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is CCC(N)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is LDFJNDRIHCTHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-10(14)12(17)16-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 261.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 139386677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).