2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C11H15N5OS2 — CID 100723868

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCn1ncnc1CSCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H15N5OS2/c1-3-16-9(12-7-13-16)5-18-6-10(17)15-11-14-8(2)4-19-11/h4,7H,3,5-6H2,1-2H3,(H,14,15,17)
InChIKeySKLVPIWZBYMWLJ-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.93
Rot. Bonds6

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 100723868) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID100723868
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCn1ncnc1CSCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H15N5OS2/c1-3-16-9(12-7-13-16)5-18-6-10(17)15-11-14-8(2)4-19-11/h4,7H,3,5-6H2,1-2H3,(H,14,15,17)
InChIKeySKLVPIWZBYMWLJ-UHFFFAOYSA-N
XLogP1.93
TPSA72.70 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 100723868) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCn1ncnc1CSCC(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SKLVPIWZBYMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-16-9(12-7-13-16)5-18-6-10(17)15-11-14-8(2)4-19-11/h4,7H,3,5-6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 100723868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).