2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

C16H11N3O3S — CID 127031758

IUPAC2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H11N3O3S/c20-14(10-4-2-1-3-5-10)19-16-18-13(9-23-16)12-8-11(15(21)22)6-7-17-12/h1-9H,(H,21,22)(H,18,19,20)
InChIKeyUDJRPCMACHUKPI-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 127031758) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
PubChem CID127031758
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H11N3O3S/c20-14(10-4-2-1-3-5-10)19-16-18-13(9-23-16)12-8-11(15(21)22)6-7-17-12/h1-9H,(H,21,22)(H,18,19,20)
InChIKeyUDJRPCMACHUKPI-UHFFFAOYSA-N
XLogP3.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (CID 127031758) is 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2csc(NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is UDJRPCMACHUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14(10-4-2-1-3-5-10)19-16-18-13(9-23-16)12-8-11(15(21)22)6-7-17-12/h1-9H,(H,21,22)(H,18,19,20).
What are the key properties of 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 325.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 127031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).