2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid

C14H9N3O2S — CID 82227069

IUPAC2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccn2)nc1-c1ccccn1
InChIInChI=1S/C14H9N3O2S/c18-14(19)12-11(9-5-1-3-7-15-9)17-13(20-12)10-6-2-4-8-16-10/h1-8H,(H,18,19)
InChIKeyYYDIVYOMTFVTNT-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds3

About 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid

2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227069) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227069
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccn2)nc1-c1ccccn1
InChIInChI=1S/C14H9N3O2S/c18-14(19)12-11(9-5-1-3-7-15-9)17-13(20-12)10-6-2-4-8-16-10/h1-8H,(H,18,19)
InChIKeyYYDIVYOMTFVTNT-UHFFFAOYSA-N
XLogP2.97
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 141362741
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970495
(E)-3-(4-pyridin-2-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)but-2-enoic acid
CID 110447015

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 82227069) is 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccccn2)nc1-c1ccccn1.
What is the InChIKey of 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YYDIVYOMTFVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c18-14(19)12-11(9-5-1-3-7-15-9)17-13(20-12)10-6-2-4-8-16-10/h1-8H,(H,18,19).
What are the key properties of 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid?
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).