N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide

C9H10F3N3O2S — CID 79810911

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-4(16)5-3-18-7(14-5)15-6(17)8(2,13)9(10,11)12/h3H,13H2,1-2H3,(H,14,15,17)
InChIKeyBOLIKVLFLJOHIZ-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.56
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79810911) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79810911
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-4(16)5-3-18-7(14-5)15-6(17)8(2,13)9(10,11)12/h3H,13H2,1-2H3,(H,14,15,17)
InChIKeyBOLIKVLFLJOHIZ-UHFFFAOYSA-N
XLogP1.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
CID 64556720
2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
CID 64557722
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-(diaminomethylideneamino)propanamide
CID 134822015
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 156020031
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide hydrochloride
CID 119031486
(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 134822011
[(2~{r})-1-[(4-Ethanoyl-1,3-Thiazol-2-Yl)amino]-1-Oxidanylidene-Propan-2-Yl]azanium
CID 137348403
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959444
tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 56826726
2-acetamido-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 72026052
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 93827617

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide (CID 79810911) is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide is CC(=O)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is BOLIKVLFLJOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-4(16)5-3-18-7(14-5)15-6(17)8(2,13)9(10,11)12/h3H,13H2,1-2H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 281.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79810911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).