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

C9H5F2NS — CID 76539850

IUPAC5-(2,3-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2cncs2)c1F
InChIInChI=1S/C9H5F2NS/c10-7-3-1-2-6(9(7)11)8-4-12-5-13-8/h1-5H
InChIKeySYTWBCMQSSBZHD-UHFFFAOYSA-N
MW197.21 g/mol
LogP3.09
Rot. Bonds1

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

5-(2,3-difluorophenyl)-1,3-thiazole (PubChem CID 76539850) has the molecular formula C9H5F2NS and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-1,3-thiazole
PubChem CID76539850
Molecular FormulaC9H5F2NS
Molecular Weight197.21 g/mol
Exact Mass197.01
IUPAC Name5-(2,3-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2cncs2)c1F
InChIInChI=1S/C9H5F2NS/c10-7-3-1-2-6(9(7)11)8-4-12-5-13-8/h1-5H
InChIKeySYTWBCMQSSBZHD-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-1,3-thiazole?
The IUPAC name of 5-(2,3-difluorophenyl)-1,3-thiazole (CID 76539850) is 5-(2,3-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,3-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(2,3-difluorophenyl)-1,3-thiazole is Fc1cccc(-c2cncs2)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-1,3-thiazole?
The InChIKey is SYTWBCMQSSBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NS/c10-7-3-1-2-6(9(7)11)8-4-12-5-13-8/h1-5H.
What are the key properties of 5-(2,3-difluorophenyl)-1,3-thiazole?
5-(2,3-difluorophenyl)-1,3-thiazole has a molecular weight of 197.21 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 76539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).