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

C5H5F2NS2 — CID 20719787

IUPAC2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SC(F)F)n1
InChIInChI=1S/C5H5F2NS2/c1-3-2-9-5(8-3)10-4(6)7/h2,4H,1H3
InChIKeyXSJNSAAEGIQDLB-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.77
Rot. Bonds2

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

2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 20719787) has the molecular formula C5H5F2NS2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID20719787
Molecular FormulaC5H5F2NS2
Molecular Weight181.23 g/mol
Exact Mass180.98
IUPAC Name2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SC(F)F)n1
InChIInChI=1S/C5H5F2NS2/c1-3-2-9-5(8-3)10-4(6)7/h2,4H,1H3
InChIKeyXSJNSAAEGIQDLB-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole (CID 20719787) is 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SC(F)F)n1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is XSJNSAAEGIQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NS2/c1-3-2-9-5(8-3)10-4(6)7/h2,4H,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 181.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 20719787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).