4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole

C10H7F2NS — CID 2800028

IUPAC4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C10H7F2NS/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,1H3
InChIKeyXNBDEUYJTNGMPG-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.40
Rot. Bonds1

About 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole

4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole (PubChem CID 2800028) has the molecular formula C10H7F2NS and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole
PubChem CID2800028
Molecular FormulaC10H7F2NS
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C10H7F2NS/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,1H3
InChIKeyXNBDEUYJTNGMPG-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole (CID 2800028) is 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is XNBDEUYJTNGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole?
4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole has a molecular weight of 211.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2800028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).