5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine

C11H10N2S — CID 138979417

IUPAC5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine
SMILESc1ccc2c(c1)SCCn1ccnc1-2
InChIInChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11-12-5-6-13(11)7-8-14-10/h1-6H,7-8H2
InChIKeyNBWABBFMFGXSJX-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.66
Rot. Bonds

About 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine

5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine (PubChem CID 138979417) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine.

Molecular Properties

Compound Name5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine
PubChem CID138979417
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine
SMILESc1ccc2c(c1)SCCn1ccnc1-2
InChIInChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11-12-5-6-13(11)7-8-14-10/h1-6H,7-8H2
InChIKeyNBWABBFMFGXSJX-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine?
The IUPAC name of 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine (CID 138979417) is 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine.
What is the SMILES notation for 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine?
The canonical SMILES for 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine is c1ccc2c(c1)SCCn1ccnc1-2.
What is the InChIKey of 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine?
The InChIKey is NBWABBFMFGXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11-12-5-6-13(11)7-8-14-10/h1-6H,7-8H2.
What are the key properties of 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine?
5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine has a molecular weight of 202.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroimidazo[1,2-d][1,4]benzothiazepine is sourced from PubChem (CID 138979417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).