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

C9H12N6O3S — CID 82210972

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2cc(CO)nn2)s1
InChIInChI=1S/C9H12N6O3S/c1-18-5-8-12-13-9(19-8)10-7(17)3-15-2-6(4-16)11-14-15/h2,16H,3-5H2,1H3,(H,10,13,17)
InChIKeyKAABNVGYVYMMSD-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.59
Rot. Bonds6

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

2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 82210972) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID82210972
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2cc(CO)nn2)s1
InChIInChI=1S/C9H12N6O3S/c1-18-5-8-12-13-9(19-8)10-7(17)3-15-2-6(4-16)11-14-15/h2,16H,3-5H2,1H3,(H,10,13,17)
InChIKeyKAABNVGYVYMMSD-UHFFFAOYSA-N
XLogP-0.59
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465
N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
CID 124749261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 82210972) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)Cn2cc(CO)nn2)s1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KAABNVGYVYMMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-18-5-8-12-13-9(19-8)10-7(17)3-15-2-6(4-16)11-14-15/h2,16H,3-5H2,1H3,(H,10,13,17).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 284.30 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 82210972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).