3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide

C13H22N4O2S — CID 103381914

IUPAC3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCOCCN(CC)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)13-10(11(14)16-20-13)12(18)15-9-5-6-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKVTAZGCODOGHPE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds8

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

3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103381914) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103381914
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCOCCN(CC)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)13-10(11(14)16-20-13)12(18)15-9-5-6-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKVTAZGCODOGHPE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide (CID 103381914) is 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide is CCOCCN(CC)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is KVTAZGCODOGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-17(7-8-19-4-2)13-10(11(14)16-20-13)12(18)15-9-5-6-9/h9H,3-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).