2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C11H20N4OS — CID 7412309

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CNCCN(C)C)sc1C
InChIInChI=1S/C11H20N4OS/c1-8-9(2)17-11(13-8)14-10(16)7-12-5-6-15(3)4/h12H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyOHVVNRGLHUSUFP-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7412309) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID7412309
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CNCCN(C)C)sc1C
InChIInChI=1S/C11H20N4OS/c1-8-9(2)17-11(13-8)14-10(16)7-12-5-6-15(3)4/h12H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyOHVVNRGLHUSUFP-UHFFFAOYSA-N
XLogP0.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086
2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 42768385
N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84567118
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110695347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 7412309) is 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CNCCN(C)C)sc1C.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OHVVNRGLHUSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8-9(2)17-11(13-8)14-10(16)7-12-5-6-15(3)4/h12H,5-7H2,1-4H3,(H,13,14,16).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7412309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).