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

C19H17N3O4S — CID 110342034

IUPACmethyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc(COc3cccnc3)nc2C)c1
InChIInChI=1S/C19H17N3O4S/c1-12-17(27-16(21-12)11-26-15-7-4-8-20-10-15)18(23)22-14-6-3-5-13(9-14)19(24)25-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyUGNDDTKFXNQMSF-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.46
Rot. Bonds6

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

methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (PubChem CID 110342034) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
PubChem CID110342034
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Namemethyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc(COc3cccnc3)nc2C)c1
InChIInChI=1S/C19H17N3O4S/c1-12-17(27-16(21-12)11-26-15-7-4-8-20-10-15)18(23)22-14-6-3-5-13(9-14)19(24)25-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyUGNDDTKFXNQMSF-UHFFFAOYSA-N
XLogP3.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110342039
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35270851
methyl 3-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110387417
2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55804818
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110341948
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892330
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate (CID 110342034) is methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2sc(COc3cccnc3)nc2C)c1.
What is the InChIKey of methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
The InChIKey is UGNDDTKFXNQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-17(27-16(21-12)11-26-15-7-4-8-20-10-15)18(23)22-14-6-3-5-13(9-14)19(24)25-2/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate?
methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate has a molecular weight of 383.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 110342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).