2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate

C10H7F3N2O2S — CID 103280971

IUPAC2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
SMILESO=C(Nc1ccc2ncsc2c1)OCC(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)4-17-9(16)15-6-1-2-7-8(3-6)18-5-14-7/h1-3,5H,4H2,(H,15,16)
InChIKeyWNHPIQWBIWBRPG-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.41
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate

2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate (PubChem CID 103280971) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
PubChem CID103280971
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
SMILESO=C(Nc1ccc2ncsc2c1)OCC(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)4-17-9(16)15-6-1-2-7-8(3-6)18-5-14-7/h1-3,5H,4H2,(H,15,16)
InChIKeyWNHPIQWBIWBRPG-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate (CID 103280971) is 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate is O=C(Nc1ccc2ncsc2c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate?
The InChIKey is WNHPIQWBIWBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)4-17-9(16)15-6-1-2-7-8(3-6)18-5-14-7/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate?
2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate has a molecular weight of 276.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate is sourced from PubChem (CID 103280971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).