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

C5H2F3N2O2S- — CID 152781288

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C([O-])Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-13-3(9-2)10-4(11)12/h1H,(H,9,10)(H,11,12)/p-1
InChIKeyOPEQWLGEURGDPA-UHFFFAOYSA-M
MW211.14 g/mol
LogP0.92
Rot. Bonds1

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

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 152781288) has the molecular formula C5H2F3N2O2S- and a molecular weight of 211.14 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID152781288
Molecular FormulaC5H2F3N2O2S-
Molecular Weight211.14 g/mol
Exact Mass210.98
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C([O-])Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-13-3(9-2)10-4(11)12/h1H,(H,9,10)(H,11,12)/p-1
InChIKeyOPEQWLGEURGDPA-UHFFFAOYSA-M
XLogP0.92
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 152781288) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is O=C([O-])Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is OPEQWLGEURGDPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-13-3(9-2)10-4(11)12/h1H,(H,9,10)(H,11,12)/p-1.
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 211.14 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 152781288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).