2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide

C12H20N4O2S — CID 62787721

IUPAC2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1csc(N)n1
InChIInChI=1S/C12H20N4O2S/c1-3-5-14-10(17)7-16(6-4-2)11(18)9-8-19-12(13)15-9/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGMYRDRJEPODGCV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds7

About 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide

2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 62787721) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID62787721
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1csc(N)n1
InChIInChI=1S/C12H20N4O2S/c1-3-5-14-10(17)7-16(6-4-2)11(18)9-8-19-12(13)15-9/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGMYRDRJEPODGCV-UHFFFAOYSA-N
XLogP1.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62955102
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 119783818
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 62787721) is 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is GMYRDRJEPODGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-5-14-10(17)7-16(6-4-2)11(18)9-8-19-12(13)15-9/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).