2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole

C11H9F2NS — CID 116887626

IUPAC2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)ccc2F)sc1C
InChIInChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,1-2H3
InChIKeyBWQPUYGREOKFJJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.71
Rot. Bonds1

About 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole

2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole (PubChem CID 116887626) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
PubChem CID116887626
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)ccc2F)sc1C
InChIInChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,1-2H3
InChIKeyBWQPUYGREOKFJJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 116886434
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885849
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625
2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422773
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole (CID 116887626) is 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-c2cc(F)ccc2F)sc1C.
What is the InChIKey of 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is BWQPUYGREOKFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)9-5-8(12)3-4-10(9)13/h3-5H,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 225.26 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 116887626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).