2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C25H33N3O4S — CID 3956928

IUPAC2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C25H33N3O4S/c1-2-3-4-5-6-7-8-13-24(29)28(17-21-12-10-15-32-21)18-23-27-22(19-33-23)25(30)26-16-20-11-9-14-31-20/h9-12,14-15,19H,2-8,13,16-18H2,1H3,(H,26,30)
InChIKeyIALPULDENHIBGW-UHFFFAOYSA-N
MW471.62 g/mol
LogP5.93
Rot. Bonds15

About 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3956928) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID3956928
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C25H33N3O4S/c1-2-3-4-5-6-7-8-13-24(29)28(17-21-12-10-15-32-21)18-23-27-22(19-33-23)25(30)26-16-20-11-9-14-31-20/h9-12,14-15,19H,2-8,13,16-18H2,1H3,(H,26,30)
InChIKeyIALPULDENHIBGW-UHFFFAOYSA-N
XLogP5.93
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1196035
N-[(4-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl-octanoylamino]methyl]-1,3-thiazole-4-carboxamide
CID 42765616
N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5023262
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4679622
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5133058
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
methyl 2-[[hexanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3888215

Frequently Asked Questions

What is the IUPAC name of 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 3956928) is 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CCCCCCCCCC(=O)N(Cc1ccco1)Cc1nc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IALPULDENHIBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-2-3-4-5-6-7-8-13-24(29)28(17-21-12-10-15-32-21)18-23-27-22(19-33-23)25(30)26-16-20-11-9-14-31-20/h9-12,14-15,19H,2-8,13,16-18H2,1H3,(H,26,30).
What are the key properties of 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 5.93, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3956928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).