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

C11H9F2NS — CID 58992623

IUPAC2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)cc(F)c2)sc1C
InChIInChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)8-3-9(12)5-10(13)4-8/h3-5H,1-2H3
InChIKeyRTTRLMAGCQUTQY-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.71
Rot. Bonds1

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

2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole (PubChem CID 58992623) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
PubChem CID58992623
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)cc(F)c2)sc1C
InChIInChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)8-3-9(12)5-10(13)4-8/h3-5H,1-2H3
InChIKeyRTTRLMAGCQUTQY-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-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-Methyl-4,5-diphenylthiazole
CID 77365
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-(Ethylthio)-4-phenylthiazole
CID 79206
(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
CID 704539
4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 1229841
Thiazole, triphenyl-
CID 1712256
4-(3,4-Difluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 674091
2-(4-Chlorophenyl)-5-isopropenyl-4-methyl-thiazole
CID 23723059
Dimethyl-[2-(5-methyl-4-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374298

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole (CID 58992623) is 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-c2cc(F)cc(F)c2)sc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is RTTRLMAGCQUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c1-6-7(2)15-11(14-6)8-3-9(12)5-10(13)4-8/h3-5H,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole?
2-(3,5-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-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 58992623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).