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

C11H9F2NS — CID 58245742

IUPAC5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H9F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3
InChIKeySFMOLDPTLJEIQF-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.71
Rot. Bonds1

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

5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 58245742) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole
PubChem CID58245742
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H9F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3
InChIKeySFMOLDPTLJEIQF-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole (CID 58245742) is 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is SFMOLDPTLJEIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole?
5-(3,4-difluorophenyl)-2,4-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 5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 58245742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).