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

C19H17N3O3S — CID 17488798

IUPACmethyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-13(19(24)25-3)10-15(11)22-17(23)16-12(2)21-18(26-16)14-6-4-5-9-20-14/h4-10H,1-3H3,(H,22,23)
InChIKeyCETQSRKVUIUBAC-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.86
Rot. Bonds4

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

methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate (PubChem CID 17488798) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
PubChem CID17488798
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-13(19(24)25-3)10-15(11)22-17(23)16-12(2)21-18(26-16)14-6-4-5-9-20-14/h4-10H,1-3H3,(H,22,23)
InChIKeyCETQSRKVUIUBAC-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137175
4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71880545
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
4-methyl-2-pyridin-2-yl-N-quinolin-5-yl-1,3-thiazole-5-carboxamide
CID 86907870
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8928359
4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 146710066
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55799328
methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate
CID 8565364

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate (CID 17488798) is methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1.
What is the InChIKey of methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The InChIKey is CETQSRKVUIUBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-7-8-13(19(24)25-3)10-15(11)22-17(23)16-12(2)21-18(26-16)14-6-4-5-9-20-14/h4-10H,1-3H3,(H,22,23).
What are the key properties of methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate has a molecular weight of 367.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 17488798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).