2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole

C11H10N2S — CID 70937598

IUPAC2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
SMILESCc1cc2ccc3nc(C)sc3c2[nH]1
InChIInChI=1S/C11H10N2S/c1-6-5-8-3-4-9-11(10(8)12-6)14-7(2)13-9/h3-5,12H,1-2H3
InChIKeyLWYYSPYYSOIUFM-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.39
Rot. Bonds

About 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole

2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole (PubChem CID 70937598) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole.

Molecular Properties

Compound Name2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
PubChem CID70937598
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole
SMILESCc1cc2ccc3nc(C)sc3c2[nH]1
InChIInChI=1S/C11H10N2S/c1-6-5-8-3-4-9-11(10(8)12-6)14-7(2)13-9/h3-5,12H,1-2H3
InChIKeyLWYYSPYYSOIUFM-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole?
The IUPAC name of 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole (CID 70937598) is 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole.
What is the SMILES notation for 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole?
The canonical SMILES for 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole is Cc1cc2ccc3nc(C)sc3c2[nH]1.
What is the InChIKey of 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole?
The InChIKey is LWYYSPYYSOIUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-6-5-8-3-4-9-11(10(8)12-6)14-7(2)13-9/h3-5,12H,1-2H3.
What are the key properties of 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole?
2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole has a molecular weight of 202.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8H-pyrrolo[3,2-g][1,3]benzothiazole is sourced from PubChem (CID 70937598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).