2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide

C10H18N6OS — CID 106324469

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCN2CCSCC2)n1
InChIInChI=1S/C10H18N6OS/c11-10-13-8-16(14-10)7-9(17)12-1-2-15-3-5-18-6-4-15/h8H,1-7H2,(H2,11,14)(H,12,17)
InChIKeyXEAROJILIWHWMK-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.97
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 106324469) has the molecular formula C10H18N6OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID106324469
Molecular FormulaC10H18N6OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCN2CCSCC2)n1
InChIInChI=1S/C10H18N6OS/c11-10-13-8-16(14-10)7-9(17)12-1-2-15-3-5-18-6-4-15/h8H,1-7H2,(H2,11,14)(H,12,17)
InChIKeyXEAROJILIWHWMK-UHFFFAOYSA-N
XLogP-0.97
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide (CID 106324469) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide is Nc1ncn(CC(=O)NCCN2CCSCC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is XEAROJILIWHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6OS/c11-10-13-8-16(14-10)7-9(17)12-1-2-15-3-5-18-6-4-15/h8H,1-7H2,(H2,11,14)(H,12,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 270.36 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 106324469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).