2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide

C11H20N4OS — CID 79771464

IUPAC2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
SMILESCCNc1ncc(CN(CC(N)=O)C(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-4-13-11-14-5-9(17-11)6-15(8(2)3)7-10(12)16/h5,8H,4,6-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyZFFOYWFOIRTBHV-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds7

About 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide

2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 79771464) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
PubChem CID79771464
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
SMILESCCNc1ncc(CN(CC(N)=O)C(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-4-13-11-14-5-9(17-11)6-15(8(2)3)7-10(12)16/h5,8H,4,6-7H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyZFFOYWFOIRTBHV-UHFFFAOYSA-N
XLogP1.27
TPSA71.25 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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide 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-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide (CID 79771464) is 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide is CCNc1ncc(CN(CC(N)=O)C(C)C)s1.
What is the InChIKey of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is ZFFOYWFOIRTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-13-11-14-5-9(17-11)6-15(8(2)3)7-10(12)16/h5,8H,4,6-7H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide?
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 79771464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).