methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate

C24H19N3O3S — CID 100597759

IUPACmethyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H19N3O3S/c1-30-24(29)19-4-2-3-5-20(19)26-22(28)14-16-6-8-17(9-7-16)21-15-31-23(27-21)18-10-12-25-13-11-18/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyNOAJMSOUNWZIEC-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.84
Rot. Bonds6

About methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate

methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate (PubChem CID 100597759) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
PubChem CID100597759
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Namemethyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H19N3O3S/c1-30-24(29)19-4-2-3-5-20(19)26-22(28)14-16-6-8-17(9-7-16)21-15-31-23(27-21)18-10-12-25-13-11-18/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyNOAJMSOUNWZIEC-UHFFFAOYSA-N
XLogP4.84
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597512
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
methyl 2-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3501672
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100598169
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110424060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate (CID 100597759) is methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate?
The InChIKey is NOAJMSOUNWZIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-30-24(29)19-4-2-3-5-20(19)26-22(28)14-16-6-8-17(9-7-16)21-15-31-23(27-21)18-10-12-25-13-11-18/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate?
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate has a molecular weight of 429.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate is sourced from PubChem (CID 100597759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).