2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide

C11H20N4OS — CID 55116109

IUPAC2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C11H20N4OS/c1-3-15(4-2)7-5-6-13-10(16)9-8-17-11(12)14-9/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyMYXSPDWDBXMMAE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.19
Rot. Bonds7

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

2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 55116109) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID55116109
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C11H20N4OS/c1-3-15(4-2)7-5-6-13-10(16)9-8-17-11(12)14-9/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyMYXSPDWDBXMMAE-UHFFFAOYSA-N
XLogP1.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783
2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 115519247
2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161214
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
CID 40690239
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62975755
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide (CID 55116109) is 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide is CCN(CC)CCCNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MYXSPDWDBXMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-15(4-2)7-5-6-13-10(16)9-8-17-11(12)14-9/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).