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

C4H4F2N2OS2 — CID 167336921

IUPAC2-(difluoromethyl)-1,3-thiazole-5-sulfinamide
SMILESNS(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2OS2/c5-3(6)4-8-1-2(10-4)11(7)9/h1,3H,7H2
InChIKeyMSKXDRXIUHRCTE-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

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

2-(difluoromethyl)-1,3-thiazole-5-sulfinamide (PubChem CID 167336921) has the molecular formula C4H4F2N2OS2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazole-5-sulfinamide
PubChem CID167336921
Molecular FormulaC4H4F2N2OS2
Molecular Weight198.22 g/mol
Exact Mass197.97
IUPAC Name2-(difluoromethyl)-1,3-thiazole-5-sulfinamide
SMILESNS(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2OS2/c5-3(6)4-8-1-2(10-4)11(7)9/h1,3H,7H2
InChIKeyMSKXDRXIUHRCTE-UHFFFAOYSA-N
XLogP1.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylthiazole-5-sulfonamide
CID 13517396
5-Thiazolesulfonyl fluoride, 2-methyl-
CID 125454234
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 21459849
2-(Fluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 88403091
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide (CID 167336921) is 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide is NS(=O)c1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide?
The InChIKey is MSKXDRXIUHRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2OS2/c5-3(6)4-8-1-2(10-4)11(7)9/h1,3H,7H2.
What are the key properties of 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide?
2-(difluoromethyl)-1,3-thiazole-5-sulfinamide has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 167336921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).