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

C11H16N6OS — CID 62054638

IUPACN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CN)nn2)cs1
InChIInChI=1S/C11H16N6OS/c1-3-17(8(2)18)11-13-10(7-19-11)6-16-5-9(4-12)14-15-16/h5,7H,3-4,6,12H2,1-2H3
InChIKeyRGXHQKNRXKRKDC-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.61
Rot. Bonds5

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

N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 62054638) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID62054638
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CN)nn2)cs1
InChIInChI=1S/C11H16N6OS/c1-3-17(8(2)18)11-13-10(7-19-11)6-16-5-9(4-12)14-15-16/h5,7H,3-4,6,12H2,1-2H3
InChIKeyRGXHQKNRXKRKDC-UHFFFAOYSA-N
XLogP0.61
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 62054638) is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(Cn2cc(CN)nn2)cs1.
What is the InChIKey of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is RGXHQKNRXKRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-3-17(8(2)18)11-13-10(7-19-11)6-16-5-9(4-12)14-15-16/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 280.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 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]-N-ethylacetamide is sourced from PubChem (CID 62054638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).