methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate

C15H24N2O3S — CID 5133058

IUPACmethyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCCCC(=O)N(CCC)Cc1nc(C(=O)OC)cs1
InChIInChI=1S/C15H24N2O3S/c1-4-6-7-8-14(18)17(9-5-2)10-13-16-12(11-21-13)15(19)20-3/h11H,4-10H2,1-3H3
InChIKeyMPZASAVJHMZGEY-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.25
Rot. Bonds9

About methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 5133058) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID5133058
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCCCC(=O)N(CCC)Cc1nc(C(=O)OC)cs1
InChIInChI=1S/C15H24N2O3S/c1-4-6-7-8-14(18)17(9-5-2)10-13-16-12(11-21-13)15(19)20-3/h11H,4-10H2,1-3H3
InChIKeyMPZASAVJHMZGEY-UHFFFAOYSA-N
XLogP3.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[hexanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3888215
ethyl 2-[[pentanoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4046242
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
ethyl 2-[[2-methoxyethyl(pentanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3892868
methyl 2-[[butanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3625106
ethyl 2-[[dodecanoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3260168
methyl 2-[[ethylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766911
N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5023262
methyl 2-[[(4-ethoxy-4-oxobutanoyl)-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5022880
methyl 2-[[(4-butoxybenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 3652757
methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5034385
methyl 2-[[tert-butylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 5133058) is methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCCCCC(=O)N(CCC)Cc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is MPZASAVJHMZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-6-7-8-14(18)17(9-5-2)10-13-16-12(11-21-13)15(19)20-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 5133058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).