7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole

C12H13N3S — CID 70937639

IUPAC7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole
SMILESCc1nc2c(ccc3nc(C(C)C)sc32)[nH]1
InChIInChI=1S/C12H13N3S/c1-6(2)12-15-9-5-4-8-10(11(9)16-12)14-7(3)13-8/h4-6H,1-3H3,(H,13,14)
InChIKeyFYUOIDANDDKXAA-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.60
Rot. Bonds1

About 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole

7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole (PubChem CID 70937639) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole
PubChem CID70937639
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole
SMILESCc1nc2c(ccc3nc(C(C)C)sc32)[nH]1
InChIInChI=1S/C12H13N3S/c1-6(2)12-15-9-5-4-8-10(11(9)16-12)14-7(3)13-8/h4-6H,1-3H3,(H,13,14)
InChIKeyFYUOIDANDDKXAA-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole?
The IUPAC name of 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole (CID 70937639) is 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole.
What is the SMILES notation for 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole?
The canonical SMILES for 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole is Cc1nc2c(ccc3nc(C(C)C)sc32)[nH]1.
What is the InChIKey of 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole?
The InChIKey is FYUOIDANDDKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-6(2)12-15-9-5-4-8-10(11(9)16-12)14-7(3)13-8/h4-6H,1-3H3,(H,13,14).
What are the key properties of 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole?
7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole has a molecular weight of 231.32 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-6H-imidazo[4,5-g][1,3]benzothiazole is sourced from PubChem (CID 70937639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).