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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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877
5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 94946118
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624585
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95321408
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16846156
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30246197
2-(2-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17460159
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457

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).