4-(difluoromethyl)-1,3-thiazole

C4H3F2NS — CID 91247666

IUPAC4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1cscn1
InChIInChI=1S/C4H3F2NS/c5-4(6)3-1-8-2-7-3/h1-2,4H
InChIKeyGAXGRMKZGXSJLA-UHFFFAOYSA-N
MW135.14 g/mol
LogP2.08
Rot. Bonds1

About 4-(difluoromethyl)-1,3-thiazole

4-(difluoromethyl)-1,3-thiazole (PubChem CID 91247666) has the molecular formula C4H3F2NS and a molecular weight of 135.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazole
PubChem CID91247666
Molecular FormulaC4H3F2NS
Molecular Weight135.14 g/mol
Exact Mass135.00
IUPAC Name4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1cscn1
InChIInChI=1S/C4H3F2NS/c5-4(6)3-1-8-2-7-3/h1-2,4H
InChIKeyGAXGRMKZGXSJLA-UHFFFAOYSA-N
XLogP2.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazole (CID 91247666) is 4-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazole is FC(F)c1cscn1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazole?
The InChIKey is GAXGRMKZGXSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NS/c5-4(6)3-1-8-2-7-3/h1-2,4H.
What are the key properties of 4-(difluoromethyl)-1,3-thiazole?
4-(difluoromethyl)-1,3-thiazole has a molecular weight of 135.14 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).