2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole

C19H12N8S — CID 142798341

IUPAC2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)nn2-c2nccs2)nc1
InChIInChI=1S/C19H12N8S/c1-2-7-20-14(5-1)17-15(18-21-8-4-9-22-18)16(13-6-3-10-24-25-13)26-27(17)19-23-11-12-28-19/h1-12H
InChIKeyPQZGEDGRAGYFAD-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole

2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole (PubChem CID 142798341) has the molecular formula C19H12N8S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
PubChem CID142798341
Molecular FormulaC19H12N8S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)nn2-c2nccs2)nc1
InChIInChI=1S/C19H12N8S/c1-2-7-20-14(5-1)17-15(18-21-8-4-9-22-18)16(13-6-3-10-24-25-13)26-27(17)19-23-11-12-28-19/h1-12H
InChIKeyPQZGEDGRAGYFAD-UHFFFAOYSA-N
XLogP3.30
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
N-[(3-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole (CID 142798341) is 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole is c1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)nn2-c2nccs2)nc1.
What is the InChIKey of 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is PQZGEDGRAGYFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N8S/c1-2-7-20-14(5-1)17-15(18-21-8-4-9-22-18)16(13-6-3-10-24-25-13)26-27(17)19-23-11-12-28-19/h1-12H.
What are the key properties of 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 384.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 142798341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).