5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid

C18H15N3O5S — CID 90175251

IUPAC5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H15N3O5S/c1-25-12-4-3-11(9-13(12)26-2)15(22)21-17-14(18(23)24)20-16(27-17)10-5-7-19-8-6-10/h3-9H,1-2H3,(H,21,22)(H,23,24)
InChIKeyXWOBOPIQQZTYSW-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.17
Rot. Bonds6

About 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid

5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 90175251) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
PubChem CID90175251
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H15N3O5S/c1-25-12-4-3-11(9-13(12)26-2)15(22)21-17-14(18(23)24)20-16(27-17)10-5-7-19-8-6-10/h3-9H,1-2H3,(H,21,22)(H,23,24)
InChIKeyXWOBOPIQQZTYSW-UHFFFAOYSA-N
XLogP3.17
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid (CID 90175251) is 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid is COc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(=O)O)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XWOBOPIQQZTYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-25-12-4-3-11(9-13(12)26-2)15(22)21-17-14(18(23)24)20-16(27-17)10-5-7-19-8-6-10/h3-9H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 90175251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).