2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C14H10N4O2S — CID 56874706

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1nc(-c2nccc(-c3cc(C(=O)O)ccn3)n2)cs1
InChIInChI=1S/C14H10N4O2S/c1-8-17-12(7-21-8)13-16-5-3-10(18-13)11-6-9(14(19)20)2-4-15-11/h2-7H,1H3,(H,19,20)
InChIKeyONUJBPQPGCWLQN-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.67
Rot. Bonds3

About 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 56874706) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID56874706
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1nc(-c2nccc(-c3cc(C(=O)O)ccn3)n2)cs1
InChIInChI=1S/C14H10N4O2S/c1-8-17-12(7-21-8)13-16-5-3-10(18-13)11-6-9(14(19)20)2-4-15-11/h2-7H,1H3,(H,19,20)
InChIKeyONUJBPQPGCWLQN-UHFFFAOYSA-N
XLogP2.67
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Pyridin-2-yl-thiazol-2-ylamino)-benzoic acid
CID 704421
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704565
2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxylic Acid
CID 96607511
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
4-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 697299
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
4-(5-Allyl-6-methyl-2-(2-methylthiazol-4-yl)pyrimidin-4-ylamino)benzoic acid
CID 54585043
US9969726, Example 109
CID 118577167
US20230348450, Example 83
CID 162757352
US20230348450, Example 96
CID 162757424
US20230348450, Example 3
CID 162757364
2-(2-Methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 96608360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 56874706) is 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is Cc1nc(-c2nccc(-c3cc(C(=O)O)ccn3)n2)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ONUJBPQPGCWLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-8-17-12(7-21-8)13-16-5-3-10(18-13)11-6-9(14(19)20)2-4-15-11/h2-7H,1H3,(H,19,20).
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 298.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56874706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).