2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C11H13F3N2OS — CID 70735967

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3
InChIKeyMZCLWGBOUFLEIX-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.55
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 70735967) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID70735967
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3
InChIKeyMZCLWGBOUFLEIX-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 70735967) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCCC2C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MZCLWGBOUFLEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 278.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70735967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).