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

C19H17N3O3S — CID 110330071

IUPACmethyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)14-3-2-4-15(11-14)21-17(23)6-5-16-12-26-18(22-16)13-7-9-20-10-8-13/h2-4,7-12H,5-6H2,1H3,(H,21,23)
InChIKeyDFPYSVOLRUYXQO-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.56
Rot. Bonds6

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

methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate (PubChem CID 110330071) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
PubChem CID110330071
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)14-3-2-4-15(11-14)21-17(23)6-5-16-12-26-18(22-16)13-7-9-20-10-8-13/h2-4,7-12H,5-6H2,1H3,(H,21,23)
InChIKeyDFPYSVOLRUYXQO-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

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335
methyl 3-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100595486
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110608052
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate (CID 110330071) is methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2csc(-c3ccncc3)n2)c1.
What is the InChIKey of methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
The InChIKey is DFPYSVOLRUYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-19(24)14-3-2-4-15(11-14)21-17(23)6-5-16-12-26-18(22-16)13-7-9-20-10-8-13/h2-4,7-12H,5-6H2,1H3,(H,21,23).
What are the key properties of methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate?
methyl 3-[3-(2-pyridin-4-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 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate is sourced from PubChem (CID 110330071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).