2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride

C7H10FNO2S2 — CID 165477529

IUPAC2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCC(C)(C)c1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C7H10FNO2S2/c1-7(2,3)6-9-4-5(12-6)13(8,10)11/h4H,1-3H3
InChIKeyRMINBULGBUQCOD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.10
Rot. Bonds1

About 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride

2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 165477529) has the molecular formula C7H10FNO2S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride
PubChem CID165477529
Molecular FormulaC7H10FNO2S2
Molecular Weight223.29 g/mol
Exact Mass223.01
IUPAC Name2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride
SMILESCC(C)(C)c1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C7H10FNO2S2/c1-7(2,3)6-9-4-5(12-6)13(8,10)11/h4H,1-3H3
InChIKeyRMINBULGBUQCOD-UHFFFAOYSA-N
XLogP2.10
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride (CID 165477529) is 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride is CC(C)(C)c1ncc(S(=O)(=O)F)s1.
What is the InChIKey of 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is RMINBULGBUQCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2S2/c1-7(2,3)6-9-4-5(12-6)13(8,10)11/h4H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride?
2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 223.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 165477529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).