N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide

C8H9F3N2OS — CID 103709182

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCc1cnc(CNC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-5-3-12-6(15-5)4-13-7(14)8(9,10)11/h3H,2,4H2,1H3,(H,13,14)
InChIKeyXGHPGLHTQPVRLR-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.88
Rot. Bonds3

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 103709182) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID103709182
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCc1cnc(CNC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-2-5-3-12-6(15-5)4-13-7(14)8(9,10)11/h3H,2,4H2,1H3,(H,13,14)
InChIKeyXGHPGLHTQPVRLR-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
4-(2,2-difluoroethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 84592989
3-Ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981834
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 118373198
(2R)-2-amino-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide
CID 178688798
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60958351
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62726537
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958377
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958410

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 103709182) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide is CCc1cnc(CNC(=O)C(F)(F)F)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is XGHPGLHTQPVRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-2-5-3-12-6(15-5)4-13-7(14)8(9,10)11/h3H,2,4H2,1H3,(H,13,14).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 238.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103709182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).