2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N2O3S2 — CID 42793339

IUPAC2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S2/c1-19(16,17)5-8(15)14(6-9(10,11)12)4-7-13-2-3-18-7/h2-3H,4-6H2,1H3
InChIKeyIVNMBXMPVPJSRI-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.08
Rot. Bonds5

About 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 42793339) has the molecular formula C9H11F3N2O3S2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID42793339
Molecular FormulaC9H11F3N2O3S2
Molecular Weight316.33 g/mol
Exact Mass316.02
IUPAC Name2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CC(=O)N(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S2/c1-19(16,17)5-8(15)14(6-9(10,11)12)4-7-13-2-3-18-7/h2-3H,4-6H2,1H3
InChIKeyIVNMBXMPVPJSRI-UHFFFAOYSA-N
XLogP1.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethyl-2-thiazolecarboxamide
CID 110695970
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
2,2,2-Trifluoro-1-[4-(thiazole-2-carbonyl)-piperazin-1-yl]-ethanone
CID 59626129
N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 176758972
2-(1,3-thiazol-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47418007
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfonylacetamide
CID 128974099
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 131185876
5-Oxo-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715110
N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 57486193
N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 110715644

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 42793339) is 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)CC(=O)N(Cc1nccs1)CC(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IVNMBXMPVPJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S2/c1-19(16,17)5-8(15)14(6-9(10,11)12)4-7-13-2-3-18-7/h2-3H,4-6H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 316.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 42793339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).