methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate

C19H23N3O3S — CID 110387417

IUPACmethyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc(CN3CCCCC3)nc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-13-17(26-16(20-13)12-22-9-4-3-5-10-22)18(23)21-15-8-6-7-14(11-15)19(24)25-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,23)
InChIKeyXLIUBHNSOVYAMS-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.48
Rot. Bonds5

About methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate

methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (PubChem CID 110387417) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
PubChem CID110387417
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Namemethyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc(CN3CCCCC3)nc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-13-17(26-16(20-13)12-22-9-4-3-5-10-22)18(23)21-15-8-6-7-14(11-15)19(24)25-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,23)
InChIKeyXLIUBHNSOVYAMS-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110342034
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892330
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387103

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (CID 110387417) is methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2sc(CN3CCCCC3)nc2C)c1.
What is the InChIKey of methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The InChIKey is XLIUBHNSOVYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-17(26-16(20-13)12-22-9-4-3-5-10-22)18(23)21-15-8-6-7-14(11-15)19(24)25-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate has a molecular weight of 373.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 110387417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).