3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole

C6H8F3NO2S2 — CID 137442340

IUPAC3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole
SMILESO=S(=O)(CCC(F)(F)F)N1C=CSC1
InChIInChI=1S/C6H8F3NO2S2/c7-6(8,9)1-4-14(11,12)10-2-3-13-5-10/h2-3H,1,4-5H2
InChIKeyOTCFQCNAXCQSII-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.75
Rot. Bonds3

About 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole

3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole (PubChem CID 137442340) has the molecular formula C6H8F3NO2S2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole
PubChem CID137442340
Molecular FormulaC6H8F3NO2S2
Molecular Weight247.26 g/mol
Exact Mass246.99
IUPAC Name3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole
SMILESO=S(=O)(CCC(F)(F)F)N1C=CSC1
InChIInChI=1S/C6H8F3NO2S2/c7-6(8,9)1-4-14(11,12)10-2-3-13-5-10/h2-3H,1,4-5H2
InChIKeyOTCFQCNAXCQSII-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole (CID 137442340) is 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole is O=S(=O)(CCC(F)(F)F)N1C=CSC1.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole?
The InChIKey is OTCFQCNAXCQSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2S2/c7-6(8,9)1-4-14(11,12)10-2-3-13-5-10/h2-3H,1,4-5H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole?
3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole has a molecular weight of 247.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfonyl)-2H-1,3-thiazole is sourced from PubChem (CID 137442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).