2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide

C4H3F3N2OS2 — CID 167337027

IUPAC2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide
SMILESNS(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2OS2/c5-4(6,7)3-9-1-2(11-3)12(8)10/h1H,8H2
InChIKeyPZQWISHQOHUFGE-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.14
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide

2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide (PubChem CID 167337027) has the molecular formula C4H3F3N2OS2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide
PubChem CID167337027
Molecular FormulaC4H3F3N2OS2
Molecular Weight216.21 g/mol
Exact Mass215.96
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide
SMILESNS(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2OS2/c5-4(6,7)3-9-1-2(11-3)12(8)10/h1H,8H2
InChIKeyPZQWISHQOHUFGE-UHFFFAOYSA-N
XLogP1.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylthiazole-5-sulfonamide
CID 13517396
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 21459849
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 106784106
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 106784107
2-Methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole
CID 118466157
5-Thiazolethiol, 2-(trifluoromethyl)-
CID 119086239
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
2-(Difluoromethyl)-1,3-thiazole-5-sulfinic acid
CID 146571335
Lithium 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate
CID 146571351
2-(Trifluoromethyl)-1,3-thiazole-5-sulfinic acid
CID 146571352
Imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-lambda6-sulfane
CID 146618911

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide (CID 167337027) is 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide is NS(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide?
The InChIKey is PZQWISHQOHUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS2/c5-4(6,7)3-9-1-2(11-3)12(8)10/h1H,8H2.
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide?
2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide has a molecular weight of 216.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 167337027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).