tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

C10H13F3N2O3S — CID 86586329

IUPACtert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C10H13F3N2O3S/c1-9(2,3)18-8(17)15-7-14-6(10(11,12)13)5(4-16)19-7/h16H,4H2,1-3H3,(H,14,15,17)
InChIKeyYEAUXZCJVQJYFI-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 86586329) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID86586329
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Nametert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C10H13F3N2O3S/c1-9(2,3)18-8(17)15-7-14-6(10(11,12)13)5(4-16)19-7/h16H,4H2,1-3H3,(H,14,15,17)
InChIKeyYEAUXZCJVQJYFI-UHFFFAOYSA-N
XLogP3.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 118545134
[2-acetamido-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl N-aminocarbamate
CID 123458990
tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117835
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
tert-butyl N-[2-[(4-bromophenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate
CID 145209166
tert-butyl N-[5-[[3-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 21137696
tert-butyl N-(4-bromo-5,7-difluoro-1,3-benzothiazol-2-yl)carbamate
CID 172868672
tert-butyl N-(5-bromo-4-formyl-1,3-thiazol-2-yl)carbamate;methoxymethane
CID 143508847
tert-butyl N-(5-chloro-4-oxaldehydoyl-1,3-thiazol-2-yl)carbamate
CID 89084735
2-hydroxy-2-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
CID 155681243
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 86586329) is tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(F)(F)F)c(CO)s1.
What is the InChIKey of tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is YEAUXZCJVQJYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-9(2,3)18-8(17)15-7-14-6(10(11,12)13)5(4-16)19-7/h16H,4H2,1-3H3,(H,14,15,17).
What are the key properties of tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 298.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 86586329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).