(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H10F3N3O3S — CID 142629889

IUPAC(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)[C@H](CO)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3S/c1-4-3-19-8(13-4)15-6(17)5(2-16)14-7(18)9(10,11)12/h3,5,16H,2H2,1H3,(H,14,18)(H,13,15,17)/t5-/m0/s1
InChIKeyQXHZLGWBTBJDEY-YFKPBYRVSA-N
MW297.26 g/mol
LogP0.43
Rot. Bonds4

About (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 142629889) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID142629889
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)[C@H](CO)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3S/c1-4-3-19-8(13-4)15-6(17)5(2-16)14-7(18)9(10,11)12/h3,5,16H,2H2,1H3,(H,14,18)(H,13,15,17)/t5-/m0/s1
InChIKeyQXHZLGWBTBJDEY-YFKPBYRVSA-N
XLogP0.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 142629889) is (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is Cc1csc(NC(=O)[C@H](CO)NC(=O)C(F)(F)F)n1.
What is the InChIKey of (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is QXHZLGWBTBJDEY-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-4-3-19-8(13-4)15-6(17)5(2-16)14-7(18)9(10,11)12/h3,5,16H,2H2,1H3,(H,14,18)(H,13,15,17)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
(2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 297.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 142629889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).