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

C9H10F3N3O3S — CID 174348099

IUPAC3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)C(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)
InChIKeyQXHZLGWBTBJDEY-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.43
Rot. Bonds4

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

3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 174348099) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID174348099
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)C(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)
InChIKeyQXHZLGWBTBJDEY-UHFFFAOYSA-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

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

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
CID 143219877
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 174348099) is 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is Cc1csc(NC(=O)C(CO)NC(=O)C(F)(F)F)n1.
What is the InChIKey of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is QXHZLGWBTBJDEY-UHFFFAOYSA-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).
What are the key properties of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
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 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 174348099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).