(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H10F3N3O3S — CID 54162881

IUPAC(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESO=C(NCc1nccs1)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c10-9(11,12)8(18)15-5(4-16)7(17)14-3-6-13-1-2-19-6/h1-2,5,16H,3-4H2,(H,14,17)(H,15,18)/t5-/m0/s1
InChIKeyOPQQPUGSOMJOEY-YFKPBYRVSA-N
MW297.26 g/mol
LogP-0.20
Rot. Bonds5

About (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 54162881) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID54162881
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESO=C(NCc1nccs1)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c10-9(11,12)8(18)15-5(4-16)7(17)14-3-6-13-1-2-19-6/h1-2,5,16H,3-4H2,(H,14,17)(H,15,18)/t5-/m0/s1
InChIKeyOPQQPUGSOMJOEY-YFKPBYRVSA-N
XLogP-0.20
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide 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

2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide
CID 57293921
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 54162881) is (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is O=C(NCc1nccs1)[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is OPQQPUGSOMJOEY-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c10-9(11,12)8(18)15-5(4-16)7(17)14-3-6-13-1-2-19-6/h1-2,5,16H,3-4H2,(H,14,17)(H,15,18)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
(2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 297.26 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 54162881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).