tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

C9H11F3N2O2S — CID 156815064

IUPACtert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,3)16-7(15)14-6-13-5(4-17-6)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyNQVWTHQNQAQEBM-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.51
Rot. Bonds1

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

tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 156815064) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID156815064
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Nametert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,3)16-7(15)14-6-13-5(4-17-6)9(10,11)12/h4H,1-3H3,(H,13,14,15)
InChIKeyNQVWTHQNQAQEBM-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
Tert-butyl (4-(aminomethyl)thiazol-2-yl)carbamate
CID 53397224
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 50989389
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
tert-Butyl (4-(difluoromethyl)thiazol-2-yl)carbamate
CID 45117843
tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
CID 45117864
2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 45816419
t-Butyl [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 59570990
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59634285
[4-(Fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 156815064) is tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is NQVWTHQNQAQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-8(2,3)16-7(15)14-6-13-5(4-17-6)9(10,11)12/h4H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 156815064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).