(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C15H19N3OS — CID 61474780

IUPAC(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCCc1nc(NC(=O)[C@@H](N)Cc2ccccc2)sc1C
InChIInChI=1S/C15H19N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(16)9-11-7-5-4-6-8-11/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyOGODXEKAYQKGHB-LBPRGKRZSA-N
MW289.40 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 61474780) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID61474780
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCCc1nc(NC(=O)[C@@H](N)Cc2ccccc2)sc1C
InChIInChI=1S/C15H19N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(16)9-11-7-5-4-6-8-11/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyOGODXEKAYQKGHB-LBPRGKRZSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 61474639
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119295899
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 64888760
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 119735287
2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 62877198
(2S)-2-amino-N-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 167771655
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 104619330
(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 52533622
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135603
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 61474780) is (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is CCc1nc(NC(=O)[C@@H](N)Cc2ccccc2)sc1C.
What is the InChIKey of (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is OGODXEKAYQKGHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(16)9-11-7-5-4-6-8-11/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 61474780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).