2-methyl-1,3-thiazole-5-sulfonyl fluoride

C4H4FNO2S2 — CID 125454234

IUPAC2-methyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C4H4FNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKeyPWBIWFMZMSGLML-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.11
Rot. Bonds1

About 2-methyl-1,3-thiazole-5-sulfonyl fluoride

2-methyl-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 125454234) has the molecular formula C4H4FNO2S2 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-5-sulfonyl fluoride
PubChem CID125454234
Molecular FormulaC4H4FNO2S2
Molecular Weight181.21 g/mol
Exact Mass180.97
IUPAC Name2-methyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C4H4FNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKeyPWBIWFMZMSGLML-UHFFFAOYSA-N
XLogP1.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-methyl-1,3-thiazole-5-sulfonyl fluoride (CID 125454234) is 2-methyl-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-methyl-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-methyl-1,3-thiazole-5-sulfonyl fluoride is Cc1ncc(S(=O)(=O)F)s1.
What is the InChIKey of 2-methyl-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is PWBIWFMZMSGLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3.
What are the key properties of 2-methyl-1,3-thiazole-5-sulfonyl fluoride?
2-methyl-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 181.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 125454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).