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

C13H20N6OS — CID 106221282

IUPACN-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CCCN)nn2)cs1
InChIInChI=1S/C13H20N6OS/c1-3-19(10(2)20)13-15-12(9-21-13)8-18-7-11(16-17-18)5-4-6-14/h7,9H,3-6,8,14H2,1-2H3
InChIKeyXDTKOLZHAJAOQF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.05
Rot. Bonds7

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

N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 106221282) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID106221282
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CCCN)nn2)cs1
InChIInChI=1S/C13H20N6OS/c1-3-19(10(2)20)13-15-12(9-21-13)8-18-7-11(16-17-18)5-4-6-14/h7,9H,3-6,8,14H2,1-2H3
InChIKeyXDTKOLZHAJAOQF-UHFFFAOYSA-N
XLogP1.05
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-(3-aminopropyl)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

Related Compounds

N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638
N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62399460
2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 106221459
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221374
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 62401873
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71878560
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 106221282) is N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(Cn2cc(CCCN)nn2)cs1.
What is the InChIKey of N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is XDTKOLZHAJAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-19(10(2)20)13-15-12(9-21-13)8-18-7-11(16-17-18)5-4-6-14/h7,9H,3-6,8,14H2,1-2H3.
What are the key properties of N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 308.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 106221282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).