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

C21H37N3O2S — CID 4660175

IUPAC2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1
InChIInChI=1S/C21H37N3O2S/c1-4-7-8-9-10-11-12-13-20(25)24(15-6-3)16-19-23-18(17-27-19)21(26)22-14-5-2/h17H,4-16H2,1-3H3,(H,22,26)
InChIKeyGTLUYQVFVVQTBB-UHFFFAOYSA-N
MW395.61 g/mol
LogP5.16
Rot. Bonds15

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

2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 4660175) has the molecular formula C21H37N3O2S and a molecular weight of 395.61 g/mol. Its IUPAC name is 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID4660175
Molecular FormulaC21H37N3O2S
Molecular Weight395.61 g/mol
Exact Mass395.26
IUPAC Name2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCCCCCCCC(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1
InChIInChI=1S/C21H37N3O2S/c1-4-7-8-9-10-11-12-13-20(25)24(15-6-3)16-19-23-18(17-27-19)21(26)22-14-5-2/h17H,4-16H2,1-3H3,(H,22,26)
InChIKeyGTLUYQVFVVQTBB-UHFFFAOYSA-N
XLogP5.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 55.16
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

N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5023262
methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5133058
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765779
2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 42765568
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
ethyl 2-[[dodecanoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3260168
2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765586
ethyl 2-[[pentanoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4046242
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759

Frequently Asked Questions

What is the IUPAC name of 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 4660175) is 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCCCCCCCC(=O)N(CCC)Cc1nc(C(=O)NCCC)cs1.
What is the InChIKey of 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is GTLUYQVFVVQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2S/c1-4-7-8-9-10-11-12-13-20(25)24(15-6-3)16-19-23-18(17-27-19)21(26)22-14-5-2/h17H,4-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 395.61 g/mol, XLogP of 5.16, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4660175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).