4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine

C26H17N13OS3 — CID 141046972

IUPAC4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine
SMILESc1ccc(N2C(c3ncccn3)(c3nccs3)OC(c3csnn3)(c3ccsn3)C2(c2ccnnn2)c2ccn[nH]2)nc1
InChIInChI=1S/C26H17N13OS3/c1-2-8-27-21(4-1)39-24(17-5-11-31-33-17,18-6-12-32-37-34-18)25(19-7-14-42-36-19,20-16-43-38-35-20)40-26(39,23-30-13-15-41-23)22-28-9-3-10-29-22/h1-16H,(H,31,33)
InChIKeyVXSBAUZPTHYUGG-UHFFFAOYSA-N
MW623.71 g/mol
LogP3.17
Rot. Bonds7

About 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine

4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine (PubChem CID 141046972) has the molecular formula C26H17N13OS3 and a molecular weight of 623.71 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine
PubChem CID141046972
Molecular FormulaC26H17N13OS3
Molecular Weight623.71 g/mol
Exact Mass623.08
IUPAC Name4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine
SMILESc1ccc(N2C(c3ncccn3)(c3nccs3)OC(c3csnn3)(c3ccsn3)C2(c2ccnnn2)c2ccn[nH]2)nc1
InChIInChI=1S/C26H17N13OS3/c1-2-8-27-21(4-1)39-24(17-5-11-31-33-17,18-6-12-32-37-34-18)25(19-7-14-42-36-19,20-16-43-38-35-20)40-26(39,23-30-13-15-41-23)22-28-9-3-10-29-22/h1-16H,(H,31,33)
InChIKeyVXSBAUZPTHYUGG-UHFFFAOYSA-N
XLogP3.17
TPSA170.05 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine with MolForge

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Related Compounds

5-Pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
CID 140999362
4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141008988
2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine
CID 141155831
3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141221813
2-[4-imidazol-1-yl-5-(1H-pyrrol-2-yl)-2-(triazin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-3-yl]-1,3-thiazole
CID 141322112
2-[3-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-phenyl-2-(4-pyrazin-2-yl-3-pyrimidin-2-yl-1H-pyrrol-2-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)oxolan-2-yl]-1,3-thiazole
CID 141442675

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine?
The IUPAC name of 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine (CID 141046972) is 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine is c1ccc(N2C(c3ncccn3)(c3nccs3)OC(c3csnn3)(c3ccsn3)C2(c2ccnnn2)c2ccn[nH]2)nc1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine?
The InChIKey is VXSBAUZPTHYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N13OS3/c1-2-8-27-21(4-1)39-24(17-5-11-31-33-17,18-6-12-32-37-34-18)25(19-7-14-42-36-19,20-16-43-38-35-20)40-26(39,23-30-13-15-41-23)22-28-9-3-10-29-22/h1-16H,(H,31,33).
What are the key properties of 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine?
4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine has a molecular weight of 623.71 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine is sourced from PubChem (CID 141046972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).