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

C9H12N6OS — CID 62053645

IUPACN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2cc(CN)nn2)cs1
InChIInChI=1S/C9H12N6OS/c1-6(16)11-9-12-8(5-17-9)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16)
InChIKeyOXOOSSKNWASFAJ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.20
Rot. Bonds4

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

N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62053645) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62053645
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2cc(CN)nn2)cs1
InChIInChI=1S/C9H12N6OS/c1-6(16)11-9-12-8(5-17-9)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16)
InChIKeyOXOOSSKNWASFAJ-UHFFFAOYSA-N
XLogP0.20
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 62053645) is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cn2cc(CN)nn2)cs1.
What is the InChIKey of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OXOOSSKNWASFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6(16)11-9-12-8(5-17-9)4-15-3-7(2-10)13-14-15/h3,5H,2,4,10H2,1H3,(H,11,12,16).
What are the key properties of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62053645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).