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

C23H41N3O2S — CID 5023262

IUPACN-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CCCC)Cc1nc(C(=O)NCCCC)cs1
InChIInChI=1S/C23H41N3O2S/c1-4-7-10-11-12-13-14-15-22(27)26(17-9-6-3)18-21-25-20(19-29-21)23(28)24-16-8-5-2/h19H,4-18H2,1-3H3,(H,24,28)
InChIKeyVYGLDZABJOYDML-UHFFFAOYSA-N
MW423.67 g/mol
LogP5.94
Rot. Bonds17

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

N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 5023262) has the molecular formula C23H41N3O2S and a molecular weight of 423.67 g/mol. Its IUPAC name is N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID5023262
Molecular FormulaC23H41N3O2S
Molecular Weight423.67 g/mol
Exact Mass423.29
IUPAC NameN-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CCCC)Cc1nc(C(=O)NCCCC)cs1
InChIInChI=1S/C23H41N3O2S/c1-4-7-10-11-12-13-14-15-22(27)26(17-9-6-3)18-21-25-20(19-29-21)23(28)24-16-8-5-2/h19H,4-18H2,1-3H3,(H,24,28)
InChIKeyVYGLDZABJOYDML-UHFFFAOYSA-N
XLogP5.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 42765568
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5133058
N-butyl-2-[[butyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4001180
N-butyl-2-[[butyl-(2,4-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4587471
N-butyl-2-[[butyl-(3-chlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4645719
ethyl 2-[[dodecanoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3260168
ethyl 2-[[pentanoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4046242
N-[(4-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl-octanoylamino]methyl]-1,3-thiazole-4-carboxamide
CID 42765616
methyl 2-[[hexanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3888215
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3956928

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide (CID 5023262) is N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide is CCCCCCCCCC(=O)N(CCCC)Cc1nc(C(=O)NCCCC)cs1.
What is the InChIKey of N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VYGLDZABJOYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2S/c1-4-7-10-11-12-13-14-15-22(27)26(17-9-6-3)18-21-25-20(19-29-21)23(28)24-16-8-5-2/h19H,4-18H2,1-3H3,(H,24,28).
What are the key properties of N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 423.67 g/mol, XLogP of 5.94, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5023262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).