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

C8H10N6OS — CID 62053809

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNCc1cn(CC(=O)Nc2nccs2)nn1
InChIInChI=1S/C8H10N6OS/c9-3-6-4-14(13-12-6)5-7(15)11-8-10-1-2-16-8/h1-2,4H,3,5,9H2,(H,10,11,15)
InChIKeyCGSZMBIYFQMCQM-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.17
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 62053809) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID62053809
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNCc1cn(CC(=O)Nc2nccs2)nn1
InChIInChI=1S/C8H10N6OS/c9-3-6-4-14(13-12-6)5-7(15)11-8-10-1-2-16-8/h1-2,4H,3,5,9H2,(H,10,11,15)
InChIKeyCGSZMBIYFQMCQM-UHFFFAOYSA-N
XLogP-0.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 62053809) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is NCc1cn(CC(=O)Nc2nccs2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CGSZMBIYFQMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c9-3-6-4-14(13-12-6)5-7(15)11-8-10-1-2-16-8/h1-2,4H,3,5,9H2,(H,10,11,15).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 238.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 62053809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).