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

C18H15N3O3S — CID 56762857

IUPACmethyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1
InChIInChI=1S/C18H15N3O3S/c1-11-15(25-17(20-11)12-7-9-19-10-8-12)16(22)21-14-5-3-13(4-6-14)18(23)24-2/h3-10H,1-2H3,(H,21,22)
InChIKeyKDSYNASRERIZHB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.55
Rot. Bonds4

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

methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate (PubChem CID 56762857) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
PubChem CID56762857
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Namemethyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1
InChIInChI=1S/C18H15N3O3S/c1-11-15(25-17(20-11)12-7-9-19-10-8-12)16(22)21-14-5-3-13(4-6-14)18(23)24-2/h3-10H,1-2H3,(H,21,22)
InChIKeyKDSYNASRERIZHB-UHFFFAOYSA-N
XLogP3.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892921
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 42537829
2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24671584
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate (CID 56762857) is methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1.
What is the InChIKey of methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
The InChIKey is KDSYNASRERIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-15(25-17(20-11)12-7-9-19-10-8-12)16(22)21-14-5-3-13(4-6-14)18(23)24-2/h3-10H,1-2H3,(H,21,22).
What are the key properties of methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate?
methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate has a molecular weight of 353.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 56762857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).