2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide

C12H22N4OS — CID 43775368

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide
SMILESCCN(CC)c1ncc(CNCC(=O)N(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-5-16(6-2)12-14-8-10(18-12)7-13-9-11(17)15(3)4/h8,13H,5-7,9H2,1-4H3
InChIKeyZGDLKSYXWZVUFY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.17
Rot. Bonds7

About 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide (PubChem CID 43775368) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide
PubChem CID43775368
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide
SMILESCCN(CC)c1ncc(CNCC(=O)N(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-5-16(6-2)12-14-8-10(18-12)7-13-9-11(17)15(3)4/h8,13H,5-7,9H2,1-4H3
InChIKeyZGDLKSYXWZVUFY-UHFFFAOYSA-N
XLogP1.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide 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-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide (CID 43775368) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide is CCN(CC)c1ncc(CNCC(=O)N(C)C)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide?
The InChIKey is ZGDLKSYXWZVUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-16(6-2)12-14-8-10(18-12)7-13-9-11(17)15(3)4/h8,13H,5-7,9H2,1-4H3.
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide has a molecular weight of 270.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43775368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).