N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 51204736

IUPACN-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)15-17-13(10-20-15)14(18)16-8-3-9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyPHMRJMRYZKTTDZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds6

About N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 51204736) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID51204736
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)15-17-13(10-20-15)14(18)16-8-3-9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyPHMRJMRYZKTTDZ-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
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-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134062420
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797314
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46065850

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 51204736) is N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is COCCCNC(=O)c1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PHMRJMRYZKTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)15-17-13(10-20-15)14(18)16-8-3-9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51204736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).