2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C8H10N6O2S — CID 82210964

IUPAC2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nncc2CO)s1
InChIInChI=1S/C8H10N6O2S/c1-5-11-12-8(17-5)10-7(16)3-14-6(4-15)2-9-13-14/h2,15H,3-4H2,1H3,(H,10,12,16)
InChIKeyHRYCUESQOISUDK-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.43
Rot. Bonds4

About 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82210964) has the molecular formula C8H10N6O2S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82210964
Molecular FormulaC8H10N6O2S
Molecular Weight254.27 g/mol
Exact Mass254.06
IUPAC Name2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nncc2CO)s1
InChIInChI=1S/C8H10N6O2S/c1-5-11-12-8(17-5)10-7(16)3-14-6(4-15)2-9-13-14/h2,15H,3-4H2,1H3,(H,10,12,16)
InChIKeyHRYCUESQOISUDK-UHFFFAOYSA-N
XLogP-0.43
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 82210964) is 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2nncc2CO)s1.
What is the InChIKey of 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HRYCUESQOISUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-5-11-12-8(17-5)10-7(16)3-14-6(4-15)2-9-13-14/h2,15H,3-4H2,1H3,(H,10,12,16).
What are the key properties of 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 254.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82210964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).