2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide

C9H16N4OS — CID 103365275

IUPAC2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(N)ns1
InChIInChI=1S/C9H16N4OS/c1-3-13(4-2)9(14)6-11-8-5-7(10)12-15-8/h5,11H,3-4,6H2,1-2H3,(H2,10,12)
InChIKeyZKDGKGAEUCBPQP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.01
Rot. Bonds5

About 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide

2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide (PubChem CID 103365275) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide
PubChem CID103365275
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(N)ns1
InChIInChI=1S/C9H16N4OS/c1-3-13(4-2)9(14)6-11-8-5-7(10)12-15-8/h5,11H,3-4,6H2,1-2H3,(H2,10,12)
InChIKeyZKDGKGAEUCBPQP-UHFFFAOYSA-N
XLogP1.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylpropanamide
CID 103365099
5-(2,2-dimethylhydrazinyl)-1,2-thiazol-3-amine
CID 103364841
2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365954
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365523
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 102762537
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide (CID 103365275) is 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1cc(N)ns1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide?
The InChIKey is ZKDGKGAEUCBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-13(4-2)9(14)6-11-8-5-7(10)12-15-8/h5,11H,3-4,6H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide?
2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide has a molecular weight of 228.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 103365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).