2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate

C13H11F3N2O3S — CID 50989248

IUPAC2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(-c2csc(NC(=O)OCC(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2O3S/c1-20-9-4-2-8(3-5-9)10-6-22-11(17-10)18-12(19)21-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyOKHDLLWCCSGXAX-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.93
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate

2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 50989248) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID50989248
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(-c2csc(NC(=O)OCC(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2O3S/c1-20-9-4-2-8(3-5-9)10-6-22-11(17-10)18-12(19)21-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyOKHDLLWCCSGXAX-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 1497723
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,2-dimethylpropanamide
CID 17099839
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-(4,4,4-trifluorobutoxy)phenyl]prop-2-enamide
CID 76542037
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387834

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate (CID 50989248) is 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate is COc1ccc(-c2csc(NC(=O)OCC(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is OKHDLLWCCSGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-20-9-4-2-8(3-5-9)10-6-22-11(17-10)18-12(19)21-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate?
2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 332.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 50989248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).