2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole

C18H11N3OS2 — CID 6408958

IUPAC2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3nncc4ccccc34)c3ccsc32)s1
InChIInChI=1S/C18H11N3OS2/c1-10-20-16-15(24-10)8-14(13-6-7-23-17(13)16)22-18-12-5-3-2-4-11(12)9-19-21-18/h2-9H,1H3
InChIKeyFRSRSIINJNQEKN-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.55
Rot. Bonds2

About 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole

2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole (PubChem CID 6408958) has the molecular formula C18H11N3OS2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole
PubChem CID6408958
Molecular FormulaC18H11N3OS2
Molecular Weight349.44 g/mol
Exact Mass349.03
IUPAC Name2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3nncc4ccccc34)c3ccsc32)s1
InChIInChI=1S/C18H11N3OS2/c1-10-20-16-15(24-10)8-14(13-6-7-23-17(13)16)22-18-12-5-3-2-4-11(12)9-19-21-18/h2-9H,1H3
InChIKeyFRSRSIINJNQEKN-UHFFFAOYSA-N
XLogP5.55
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole (CID 6408958) is 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(Oc3nncc4ccccc34)c3ccsc32)s1.
What is the InChIKey of 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole?
The InChIKey is FRSRSIINJNQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3OS2/c1-10-20-16-15(24-10)8-14(13-6-7-23-17(13)16)22-18-12-5-3-2-4-11(12)9-19-21-18/h2-9H,1H3.
What are the key properties of 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole?
2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole has a molecular weight of 349.44 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phthalazin-1-yloxythieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 6408958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).