1H-indeno[5,4-f][1,3]benzothiazole

C14H9NS — CID 57349461

IUPAC1H-indeno[5,4-f][1,3]benzothiazole
SMILESC1=Cc2ccc3cc4ncsc4cc3c2C1
InChIInChI=1S/C14H9NS/c1-2-9-4-5-10-6-13-14(16-8-15-13)7-12(10)11(9)3-1/h1-2,4-8H,3H2
InChIKeyCZPRVHVBTHJBFF-UHFFFAOYSA-N
MW223.30 g/mol
LogP4.02
Rot. Bonds

About 1H-indeno[5,4-f][1,3]benzothiazole

1H-indeno[5,4-f][1,3]benzothiazole (PubChem CID 57349461) has the molecular formula C14H9NS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1H-indeno[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name1H-indeno[5,4-f][1,3]benzothiazole
PubChem CID57349461
Molecular FormulaC14H9NS
Molecular Weight223.30 g/mol
Exact Mass223.05
IUPAC Name1H-indeno[5,4-f][1,3]benzothiazole
SMILESC1=Cc2ccc3cc4ncsc4cc3c2C1
InChIInChI=1S/C14H9NS/c1-2-9-4-5-10-6-13-14(16-8-15-13)7-12(10)11(9)3-1/h1-2,4-8H,3H2
InChIKeyCZPRVHVBTHJBFF-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indeno[5,4-f][1,3]benzothiazole?
The IUPAC name of 1H-indeno[5,4-f][1,3]benzothiazole (CID 57349461) is 1H-indeno[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 1H-indeno[5,4-f][1,3]benzothiazole?
The canonical SMILES for 1H-indeno[5,4-f][1,3]benzothiazole is C1=Cc2ccc3cc4ncsc4cc3c2C1.
What is the InChIKey of 1H-indeno[5,4-f][1,3]benzothiazole?
The InChIKey is CZPRVHVBTHJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS/c1-2-9-4-5-10-6-13-14(16-8-15-13)7-12(10)11(9)3-1/h1-2,4-8H,3H2.
What are the key properties of 1H-indeno[5,4-f][1,3]benzothiazole?
1H-indeno[5,4-f][1,3]benzothiazole has a molecular weight of 223.30 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indeno[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 57349461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).