N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C8H10F3N5O2S — CID 2533071

IUPACN-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C8H10F3N5O2S/c1-12-6(18)13-4(17)3-19-7-15-14-5(16(7)2)8(9,10)11/h3H2,1-2H3,(H2,12,13,17,18)
InChIKeyUVSDJJJKNQSBSB-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.38
Rot. Bonds3

About N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2533071) has the molecular formula C8H10F3N5O2S and a molecular weight of 297.26 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2533071
Molecular FormulaC8H10F3N5O2S
Molecular Weight297.26 g/mol
Exact Mass297.05
IUPAC NameN-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C8H10F3N5O2S/c1-12-6(18)13-4(17)3-19-7-15-14-5(16(7)2)8(9,10)11/h3H2,1-2H3,(H2,12,13,17,18)
InChIKeyUVSDJJJKNQSBSB-UHFFFAOYSA-N
XLogP0.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2533071) is N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C.
What is the InChIKey of N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is UVSDJJJKNQSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2S/c1-12-6(18)13-4(17)3-19-7-15-14-5(16(7)2)8(9,10)11/h3H2,1-2H3,(H2,12,13,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 297.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2533071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).