2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide

C11H15N5OS2 — CID 75437941

IUPAC2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide
SMILESCc1nc(CCSc2nnc(C)n2CC(N)=O)cs1
InChIInChI=1S/C11H15N5OS2/c1-7-14-15-11(16(7)5-10(12)17)18-4-3-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,17)
InChIKeyWESZMNJRMXEKAR-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.17
Rot. Bonds6

About 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide

2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide (PubChem CID 75437941) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide
PubChem CID75437941
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide
SMILESCc1nc(CCSc2nnc(C)n2CC(N)=O)cs1
InChIInChI=1S/C11H15N5OS2/c1-7-14-15-11(16(7)5-10(12)17)18-4-3-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,17)
InChIKeyWESZMNJRMXEKAR-UHFFFAOYSA-N
XLogP1.17
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide (CID 75437941) is 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide is Cc1nc(CCSc2nnc(C)n2CC(N)=O)cs1.
What is the InChIKey of 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide?
The InChIKey is WESZMNJRMXEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7-14-15-11(16(7)5-10(12)17)18-4-3-9-6-19-8(2)13-9/h6H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide?
2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide has a molecular weight of 297.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 75437941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).