5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one

C5H5F2NOS — CID 84764871

IUPAC5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1C(F)F
InChIInChI=1S/C5H5F2NOS/c1-2-3(4(6)7)10-5(9)8-2/h4H,1H3,(H,8,9)
InChIKeyIZQFFFFURCYVBL-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.68
Rot. Bonds1

About 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one

5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 84764871) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
PubChem CID84764871
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1C(F)F
InChIInChI=1S/C5H5F2NOS/c1-2-3(4(6)7)10-5(9)8-2/h4H,1H3,(H,8,9)
InChIKeyIZQFFFFURCYVBL-UHFFFAOYSA-N
XLogP1.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one (CID 84764871) is 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is IZQFFFFURCYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c1-2-3(4(6)7)10-5(9)8-2/h4H,1H3,(H,8,9).
What are the key properties of 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 165.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 84764871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).