4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116666277

IUPAC4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCOCCN(CC)C(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)12(18)10-11(14)16-13(20-10)15-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyZZIJDTNRIWAGAC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.80
Rot. Bonds8

About 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 116666277) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID116666277
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCOCCN(CC)C(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)12(18)10-11(14)16-13(20-10)15-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyZZIJDTNRIWAGAC-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116672821
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666800
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide (CID 116666277) is 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide is CCOCCN(CC)C(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZZIJDTNRIWAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)12(18)10-11(14)16-13(20-10)15-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).