4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C22H16N8O2S3 — CID 137076653

IUPAC4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESc1cc(-c2conc2-c2cn[nH]c2-c2cnc(-c3csc(-c4coc(C5CCCS5)n4)n3)[nH]2)ns1
InChIInChI=1S/C22H16N8O2S3/c1-2-17(33-4-1)21-26-15(9-31-21)22-27-16(10-34-22)20-23-7-14(25-20)19-11(6-24-28-19)18-12(8-32-29-18)13-3-5-35-30-13/h3,5-10,17H,1-2,4H2,(H,23,25)(H,24,28)
InChIKeyOLAONULFQZYSOI-UHFFFAOYSA-N
MW520.63 g/mol
LogP5.92
Rot. Bonds6

About 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole

4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 137076653) has the molecular formula C22H16N8O2S3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID137076653
Molecular FormulaC22H16N8O2S3
Molecular Weight520.63 g/mol
Exact Mass520.06
IUPAC Name4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESc1cc(-c2conc2-c2cn[nH]c2-c2cnc(-c3csc(-c4coc(C5CCCS5)n4)n3)[nH]2)ns1
InChIInChI=1S/C22H16N8O2S3/c1-2-17(33-4-1)21-26-15(9-31-21)22-27-16(10-34-22)20-23-7-14(25-20)19-11(6-24-28-19)18-12(8-32-29-18)13-3-5-35-30-13/h3,5-10,17H,1-2,4H2,(H,23,25)(H,24,28)
InChIKeyOLAONULFQZYSOI-UHFFFAOYSA-N
XLogP5.92
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 137076653) is 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole is c1cc(-c2conc2-c2cn[nH]c2-c2cnc(-c3csc(-c4coc(C5CCCS5)n4)n3)[nH]2)ns1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is OLAONULFQZYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O2S3/c1-2-17(33-4-1)21-26-15(9-31-21)22-27-16(10-34-22)20-23-7-14(25-20)19-11(6-24-28-19)18-12(8-32-29-18)13-3-5-35-30-13/h3,5-10,17H,1-2,4H2,(H,23,25)(H,24,28).
What are the key properties of 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 520.63 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 137076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).