N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide

C8H9F3N2O3S2 — CID 166273875

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)CC(F)(F)F)nc1C
InChIInChI=1S/C8H9F3N2O3S2/c1-4-6(5(2)14)17-7(12-4)13-18(15,16)3-8(9,10)11/h3H2,1-2H3,(H,12,13)
InChIKeyQVVMKAJWSUSABF-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.96
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 166273875) has the molecular formula C8H9F3N2O3S2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID166273875
Molecular FormulaC8H9F3N2O3S2
Molecular Weight302.30 g/mol
Exact Mass302.00
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)CC(F)(F)F)nc1C
InChIInChI=1S/C8H9F3N2O3S2/c1-4-6(5(2)14)17-7(12-4)13-18(15,16)3-8(9,10)11/h3H2,1-2H3,(H,12,13)
InChIKeyQVVMKAJWSUSABF-UHFFFAOYSA-N
XLogP1.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-bromo-2,5-difluorobenzenesulfonamide
CID 11200726
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 11177040
2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 100772934
N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide
CID 91956017
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476002
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
CID 82531524
2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
CID 133159057
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide (CID 166273875) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide is CC(=O)c1sc(NS(=O)(=O)CC(F)(F)F)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is QVVMKAJWSUSABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S2/c1-4-6(5(2)14)17-7(12-4)13-18(15,16)3-8(9,10)11/h3H2,1-2H3,(H,12,13).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 166273875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).