2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole

C10H9NOS — CID 134174444

IUPAC2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
SMILESCc1nc2ccc3c(c2s1)CCO3
InChIInChI=1S/C10H9NOS/c1-6-11-8-2-3-9-7(4-5-12-9)10(8)13-6/h2-3H,4-5H2,1H3
InChIKeyANQXLLWAAAPGNS-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.54
Rot. Bonds

About 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole

2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole (PubChem CID 134174444) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
PubChem CID134174444
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
SMILESCc1nc2ccc3c(c2s1)CCO3
InChIInChI=1S/C10H9NOS/c1-6-11-8-2-3-9-7(4-5-12-9)10(8)13-6/h2-3H,4-5H2,1H3
InChIKeyANQXLLWAAAPGNS-UHFFFAOYSA-N
XLogP2.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole (CID 134174444) is 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole is Cc1nc2ccc3c(c2s1)CCO3.
What is the InChIKey of 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The InChIKey is ANQXLLWAAAPGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-6-11-8-2-3-9-7(4-5-12-9)10(8)13-6/h2-3H,4-5H2,1H3.
What are the key properties of 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole has a molecular weight of 191.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 134174444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).