2H-cyclopenta[f][1,3]benzothiazole

C10H7NS — CID 45077401

IUPAC2H-cyclopenta[f][1,3]benzothiazole
SMILESC1=Cc2cc3c(cc2=C1)SCN=3
InChIInChI=1S/C10H7NS/c1-2-7-4-9-10(12-6-11-9)5-8(7)3-1/h1-5H,6H2
InChIKeyHOVRYFCMXQPPDG-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.18
Rot. Bonds

About 2H-cyclopenta[f][1,3]benzothiazole

2H-cyclopenta[f][1,3]benzothiazole (PubChem CID 45077401) has the molecular formula C10H7NS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2H-cyclopenta[f][1,3]benzothiazole.

Molecular Properties

Compound Name2H-cyclopenta[f][1,3]benzothiazole
PubChem CID45077401
Molecular FormulaC10H7NS
Molecular Weight173.24 g/mol
Exact Mass173.03
IUPAC Name2H-cyclopenta[f][1,3]benzothiazole
SMILESC1=Cc2cc3c(cc2=C1)SCN=3
InChIInChI=1S/C10H7NS/c1-2-7-4-9-10(12-6-11-9)5-8(7)3-1/h1-5H,6H2
InChIKeyHOVRYFCMXQPPDG-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[f][1,3]benzothiazole?
The IUPAC name of 2H-cyclopenta[f][1,3]benzothiazole (CID 45077401) is 2H-cyclopenta[f][1,3]benzothiazole.
What is the SMILES notation for 2H-cyclopenta[f][1,3]benzothiazole?
The canonical SMILES for 2H-cyclopenta[f][1,3]benzothiazole is C1=Cc2cc3c(cc2=C1)SCN=3.
What is the InChIKey of 2H-cyclopenta[f][1,3]benzothiazole?
The InChIKey is HOVRYFCMXQPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS/c1-2-7-4-9-10(12-6-11-9)5-8(7)3-1/h1-5H,6H2.
What are the key properties of 2H-cyclopenta[f][1,3]benzothiazole?
2H-cyclopenta[f][1,3]benzothiazole has a molecular weight of 173.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[f][1,3]benzothiazole is sourced from PubChem (CID 45077401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).