methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate

C19H17N3O3S — CID 110424060

IUPACmethyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)22-17(23)9-8-14-12-26-18(21-14)13-5-4-10-20-11-13/h2-7,10-12H,8-9H2,1H3,(H,22,23)
InChIKeyYYUDRUBLQADWIL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.56
Rot. Bonds6

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

methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate (PubChem CID 110424060) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
PubChem CID110424060
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)22-17(23)9-8-14-12-26-18(21-14)13-5-4-10-20-11-13/h2-7,10-12H,8-9H2,1H3,(H,22,23)
InChIKeyYYUDRUBLQADWIL-UHFFFAOYSA-N
XLogP3.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154
N-(2-methoxy-5-methylphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110422461
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110632997
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate (CID 110424060) is methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1csc(-c2cccnc2)n1.
What is the InChIKey of methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The InChIKey is YYUDRUBLQADWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-19(24)15-6-2-3-7-16(15)22-17(23)9-8-14-12-26-18(21-14)13-5-4-10-20-11-13/h2-7,10-12H,8-9H2,1H3,(H,22,23).
What are the key properties of methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate has a molecular weight of 367.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate is sourced from PubChem (CID 110424060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).