4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine

C21H14N4OS — CID 11566894

IUPAC4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2ccccc2)c2nocc12
InChIInChI=1S/C21H14N4OS/c1-13-20(27-21(22-13)15-10-6-3-7-11-15)19-16-12-26-25-18(16)17(23-24-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeySNWPXQBDLJRWOX-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.38
Rot. Bonds3

About 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine

4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine (PubChem CID 11566894) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine
PubChem CID11566894
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2ccccc2)c2nocc12
InChIInChI=1S/C21H14N4OS/c1-13-20(27-21(22-13)15-10-6-3-7-11-15)19-16-12-26-25-18(16)17(23-24-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeySNWPXQBDLJRWOX-UHFFFAOYSA-N
XLogP5.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine?
The IUPAC name of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine (CID 11566894) is 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine?
The canonical SMILES for 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine is Cc1nc(-c2ccccc2)sc1-c1nnc(-c2ccccc2)c2nocc12.
What is the InChIKey of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine?
The InChIKey is SNWPXQBDLJRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c1-13-20(27-21(22-13)15-10-6-3-7-11-15)19-16-12-26-25-18(16)17(23-24-19)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine?
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine has a molecular weight of 370.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine is sourced from PubChem (CID 11566894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).