N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H10F3N3OS — CID 78924456

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cnc(NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS/c1-5-2-13-7(16-5)14-6(15)3-12-4-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyUMVQSZSVHTWDGW-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.54
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924456) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924456
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cnc(NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS/c1-5-2-13-7(16-5)14-6(15)3-12-4-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyUMVQSZSVHTWDGW-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 23724323
Methyl 3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(propionylamino)propanoate
CID 5103390
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
2-Acetamido-5-methylthiazole
CID 298507
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide
CID 60175141
N-(5-methyl-1,3-thiazol-2-yl)-2-(morpholin-4-yl)acetamide
CID 17634923
2-(3-methylbutylamino)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4334665
N-(5-methyl-1,3-thiazol-2-yl)-(R)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986515
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924456) is N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cnc(NC(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UMVQSZSVHTWDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-5-2-13-7(16-5)14-6(15)3-12-4-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 253.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).