5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

C7H7F3N2OS — CID 70669497

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-2-11-6(14-4)5(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyOBVMZEBLYBNDJA-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.74
Rot. Bonds2

About 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 70669497) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID70669497
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-2-11-6(14-4)5(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13)
InChIKeyOBVMZEBLYBNDJA-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
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CID 59693882
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104583481
5-methyl-1,3-thiazole-2-carbaldehyde;1,1,1-trifluoro-N-methylmethanamine
CID 144281789
2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 153306443
N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide
CID 156507566
2,2,2-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 46785222
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 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (CID 70669497) is 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is OBVMZEBLYBNDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4-2-11-6(14-4)5(13)12-3-7(8,9)10/h2H,3H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70669497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).