4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C11H10N2S — CID 700289

IUPAC4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyRKFXIXZWTWCVBR-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.49
Rot. Bonds

About 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 700289) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID700289
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyRKFXIXZWTWCVBR-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 700289) is 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is Nc1nc2c(s1)CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is RKFXIXZWTWCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13).
What are the key properties of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 202.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 700289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).