2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide

C7H9F3N4O3S2 — CID 126814436

IUPAC2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCN(CC(=O)Nc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C7H9F3N4O3S2/c1-14(19(2,16)17)3-4(15)11-6-12-5(13-18-6)7(8,9)10/h3H2,1-2H3,(H,11,12,13,15)
InChIKeyNPGQDKQICTWSRQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.39
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 126814436) has the molecular formula C7H9F3N4O3S2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID126814436
Molecular FormulaC7H9F3N4O3S2
Molecular Weight318.30 g/mol
Exact Mass318.01
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCN(CC(=O)Nc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C7H9F3N4O3S2/c1-14(19(2,16)17)3-4(15)11-6-12-5(13-18-6)7(8,9)10/h3H2,1-2H3,(H,11,12,13,15)
InChIKeyNPGQDKQICTWSRQ-UHFFFAOYSA-N
XLogP0.39
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 126814436) is 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide is CN(CC(=O)Nc1nc(C(F)(F)F)ns1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is NPGQDKQICTWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O3S2/c1-14(19(2,16)17)3-4(15)11-6-12-5(13-18-6)7(8,9)10/h3H2,1-2H3,(H,11,12,13,15).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 318.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 126814436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).