1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride

C10H16FNO2S2 — CID 165483791

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride
SMILESCc1nc(C(C)(C)C)sc1C(C)S(=O)(=O)F
InChIInChI=1S/C10H16FNO2S2/c1-6-8(7(2)16(11,13)14)15-9(12-6)10(3,4)5/h7H,1-5H3
InChIKeyPMOIUFZEUPHBMN-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.11
Rot. Bonds2

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride (PubChem CID 165483791) has the molecular formula C10H16FNO2S2 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride
PubChem CID165483791
Molecular FormulaC10H16FNO2S2
Molecular Weight265.38 g/mol
Exact Mass265.06
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride
SMILESCc1nc(C(C)(C)C)sc1C(C)S(=O)(=O)F
InChIInChI=1S/C10H16FNO2S2/c1-6-8(7(2)16(11,13)14)15-9(12-6)10(3,4)5/h7H,1-5H3
InChIKeyPMOIUFZEUPHBMN-UHFFFAOYSA-N
XLogP3.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride (CID 165483791) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride is Cc1nc(C(C)(C)C)sc1C(C)S(=O)(=O)F.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride?
The InChIKey is PMOIUFZEUPHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2S2/c1-6-8(7(2)16(11,13)14)15-9(12-6)10(3,4)5/h7H,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride has a molecular weight of 265.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 165483791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).