2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C18H17N3O2S — CID 110452105

IUPAC2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccccc3CN)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-7-4-6-12(9-14)16-11-24-18(20-16)21-17(22)15-8-3-2-5-13(15)10-19/h2-9,11H,10,19H2,1H3,(H,20,21,22)
InChIKeyCKQKGUFDJSSESK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.53
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 110452105) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID110452105
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccccc3CN)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-14-7-4-6-12(9-14)16-11-24-18(20-16)21-17(22)15-8-3-2-5-13(15)10-19/h2-9,11H,10,19H2,1H3,(H,20,21,22)
InChIKeyCKQKGUFDJSSESK-UHFFFAOYSA-N
XLogP3.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-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

Related Compounds

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
CID 121081387
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
2-chloro-N-[4-(3-dodecoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 59943391
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 24625358

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 110452105) is 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(-c2csc(NC(=O)c3ccccc3CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CKQKGUFDJSSESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-14-7-4-6-12(9-14)16-11-24-18(20-16)21-17(22)15-8-3-2-5-13(15)10-19/h2-9,11H,10,19H2,1H3,(H,20,21,22).
What are the key properties of 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 110452105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).