2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide

C12H20N4O2S — CID 62798753

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)Cc1csc(N)n1
InChIInChI=1S/C12H20N4O2S/c1-4-5-16(7-11(18)15(2)3)10(17)6-9-8-19-12(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyAUUMOGPAOURNTK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (PubChem CID 62798753) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
PubChem CID62798753
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)Cc1csc(N)n1
InChIInChI=1S/C12H20N4O2S/c1-4-5-16(7-11(18)15(2)3)10(17)6-9-8-19-12(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyAUUMOGPAOURNTK-UHFFFAOYSA-N
XLogP0.59
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62800141
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744178
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
CID 123963267
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (CID 62798753) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)N(C)C)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is AUUMOGPAOURNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-5-16(7-11(18)15(2)3)10(17)6-9-8-19-12(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 284.38 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 62798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).