2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide

C11H20N4OS — CID 79771358

IUPAC2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
SMILESCCNc1ncc(CN(CC)CC(=O)NC)s1
InChIInChI=1S/C11H20N4OS/c1-4-13-11-14-6-9(17-11)7-15(5-2)8-10(16)12-3/h6H,4-5,7-8H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyGHFXZMMCGNXGLX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.14
Rot. Bonds7

About 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide

2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide (PubChem CID 79771358) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
PubChem CID79771358
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
SMILESCCNc1ncc(CN(CC)CC(=O)NC)s1
InChIInChI=1S/C11H20N4OS/c1-4-13-11-14-6-9(17-11)7-15(5-2)8-10(16)12-3/h6H,4-5,7-8H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyGHFXZMMCGNXGLX-UHFFFAOYSA-N
XLogP1.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide 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 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide (CID 79771358) is 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide is CCNc1ncc(CN(CC)CC(=O)NC)s1.
What is the InChIKey of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide?
The InChIKey is GHFXZMMCGNXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-13-11-14-6-9(17-11)7-15(5-2)8-10(16)12-3/h6H,4-5,7-8H2,1-3H3,(H,12,16)(H,13,14).
What are the key properties of 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide?
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide has a molecular weight of 256.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide is sourced from PubChem (CID 79771358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).