N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C15H18N2O2S — CID 4985633

IUPACN-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-17-14(10-20-11)12-4-6-13(7-5-12)15(18)16-8-3-9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyQFICEOHIVWKAMS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds6

About N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 4985633) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID4985633
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOCCCNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-17-14(10-20-11)12-4-6-13(7-5-12)15(18)16-8-3-9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyQFICEOHIVWKAMS-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'}

Analyze N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 4985633) is N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is COCCCNC(=O)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is QFICEOHIVWKAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-17-14(10-20-11)12-4-6-13(7-5-12)15(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)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide 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)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 4985633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).