2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide

C6H7F3N2O3S2 — CID 103414450

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2O3S2/c1-4-10-2-5(15-4)16(12,13)11-14-3-6(7,8)9/h2,11H,3H2,1H3
InChIKeyUPAYZKPMBVUXQU-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide

2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide (PubChem CID 103414450) has the molecular formula C6H7F3N2O3S2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide
PubChem CID103414450
Molecular FormulaC6H7F3N2O3S2
Molecular Weight276.26 g/mol
Exact Mass275.99
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2O3S2/c1-4-10-2-5(15-4)16(12,13)11-14-3-6(7,8)9/h2,11H,3H2,1H3
InChIKeyUPAYZKPMBVUXQU-UHFFFAOYSA-N
XLogP1.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-sulfonamide
CID 106784107
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
Imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-lambda6-sulfane
CID 146618911
[2-(Difluoromethyl)-1,3-thiazol-5-yl]-imino-methyl-oxo-lambda6-sulfane
CID 153588348
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 155973089
2-(Difluoromethyl)-1,3-thiazole-5-sulfonylchloride
CID 165640374
2-(Difluoromethyl)-1,3-thiazole-5-sulfinamide
CID 167336921
2-(Trifluoromethyl)-1,3-thiazole-5-sulfinamide
CID 167337027
Methyl 2-(trifluoromethyl)-1,3-thiazole-5-sulfinate
CID 169605123
2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43455886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide (CID 103414450) is 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NOCC(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide?
The InChIKey is UPAYZKPMBVUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O3S2/c1-4-10-2-5(15-4)16(12,13)11-14-3-6(7,8)9/h2,11H,3H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide has a molecular weight of 276.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).