2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate

C10H13F3N2O2S — CID 61068498

IUPAC2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate
SMILESCc1nc(C)c(C(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-5-8(18-7(3)14-5)6(2)15-9(16)17-4-10(11,12)13/h6H,4H2,1-3H3,(H,15,16)
InChIKeyBNEHFPKVWIQQRH-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.11
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate (PubChem CID 61068498) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate
PubChem CID61068498
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate
SMILESCc1nc(C)c(C(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-5-8(18-7(3)14-5)6(2)15-9(16)17-4-10(11,12)13/h6H,4H2,1-3H3,(H,15,16)
InChIKeyBNEHFPKVWIQQRH-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate (CID 61068498) is 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate is Cc1nc(C)c(C(C)NC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate?
The InChIKey is BNEHFPKVWIQQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-5-8(18-7(3)14-5)6(2)15-9(16)17-4-10(11,12)13/h6H,4H2,1-3H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate has a molecular weight of 282.29 g/mol, XLogP of 3.11, 3 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 61068498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).