2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C10H7F3N2OS2 — CID 106782474

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1nc(CC(=O)c2cnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C10H7F3N2OS2/c1-5-15-6(4-17-5)2-7(16)8-3-14-9(18-8)10(11,12)13/h3-4H,2H2,1H3
InChIKeyOKEKGUCVNWKBAJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782474) has the molecular formula C10H7F3N2OS2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782474
Molecular FormulaC10H7F3N2OS2
Molecular Weight292.31 g/mol
Exact Mass292.00
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1nc(CC(=O)c2cnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C10H7F3N2OS2/c1-5-15-6(4-17-5)2-7(16)8-3-14-9(18-8)10(11,12)13/h3-4H,2H2,1H3
InChIKeyOKEKGUCVNWKBAJ-UHFFFAOYSA-N
XLogP3.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979416
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
2-(prop-2-ynylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784740
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 119050971
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106784643

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782474) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is Cc1nc(CC(=O)c2cnc(C(F)(F)F)s2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OKEKGUCVNWKBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS2/c1-5-15-6(4-17-5)2-7(16)8-3-14-9(18-8)10(11,12)13/h3-4H,2H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 292.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).