2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C8H9N5O2S — CID 62400548

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1nccs1
InChIInChI=1S/C8H9N5O2S/c14-5-6-3-13(12-11-6)4-7(15)10-8-9-1-2-16-8/h1-3,14H,4-5H2,(H,9,10,15)
InChIKeyCCYXPGVYXLCJTA-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.13
Rot. Bonds4

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

2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 62400548) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID62400548
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1nccs1
InChIInChI=1S/C8H9N5O2S/c14-5-6-3-13(12-11-6)4-7(15)10-8-9-1-2-16-8/h1-3,14H,4-5H2,(H,9,10,15)
InChIKeyCCYXPGVYXLCJTA-UHFFFAOYSA-N
XLogP-0.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 62400548) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(CO)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CCYXPGVYXLCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c14-5-6-3-13(12-11-6)4-7(15)10-8-9-1-2-16-8/h1-3,14H,4-5H2,(H,9,10,15).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 239.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 62400548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).