4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116666768

IUPAC4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C13H24N4OS/c1-3-5-6-7-9-15-12(18)10-11(14)17-13(19-10)16-8-4-2/h3-9,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHWZXVFOAGKOHAG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.86
Rot. Bonds9

About 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666768) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666768
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C13H24N4OS/c1-3-5-6-7-9-15-12(18)10-11(14)17-13(19-10)16-8-4-2/h3-9,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHWZXVFOAGKOHAG-UHFFFAOYSA-N
XLogP2.86
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116666768) is 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCCCCNC(=O)c1sc(NCCC)nc1N.
What is the InChIKey of 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HWZXVFOAGKOHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-3-5-6-7-9-15-12(18)10-11(14)17-13(19-10)16-8-4-2/h3-9,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).