methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate

C12H9F3N2O2S — CID 2726963

IUPACmethyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate
SMILESCOC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O2S/c1-19-11(18)17-9-6-20-10(16-9)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyPGGHNTIBZNPVHO-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.01
Rot. Bonds2

About methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate

methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate (PubChem CID 2726963) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate
PubChem CID2726963
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Namemethyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate
SMILESCOC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O2S/c1-19-11(18)17-9-6-20-10(16-9)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyPGGHNTIBZNPVHO-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]carbamate
CID 887761
1-Phenyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
CID 2726958
Ethyl [4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate
CID 1222684
2-hydroxy-N-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 824095
Methyl [4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate
CID 896147
1-Propan-2-yl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]urea
CID 2726962
2,2,2-trifluoroethyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
CID 47002189
4-Isocyanato-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 7164657
2-(3-(Trifluoromethyl)phenyl)thiazol-4-amine
CID 14772707
4-Amino-2-(4-trifluoromethylphenyl)thiazole
CID 45788238
4-Amino-2-(3,4-difluorophenyl)thiazole
CID 45788252
2-(2,4-Difluoro-phenyl)-thiazol-4-ylamine
CID 69225936

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate (CID 2726963) is methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate is COC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate?
The InChIKey is PGGHNTIBZNPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-19-11(18)17-9-6-20-10(16-9)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3,(H,17,18).
What are the key properties of methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate?
methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate has a molecular weight of 302.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 2726963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).