2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium

C10H10NOS+ — CID 20600359

IUPAC2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium
SMILESCc1[nH+]c2c(s1)CCc1occc1-2
InChIInChI=1S/C10H9NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h4-5H,2-3H2,1H3/p+1
InChIKeyCADJIWPFOYMHNU-UHFFFAOYSA-O
MW192.26 g/mol
LogP2.23
Rot. Bonds

About 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium

2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium (PubChem CID 20600359) has the molecular formula C10H10NOS+ and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium.

Molecular Properties

Compound Name2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium
PubChem CID20600359
Molecular FormulaC10H10NOS+
Molecular Weight192.26 g/mol
Exact Mass192.05
IUPAC Name2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium
SMILESCc1[nH+]c2c(s1)CCc1occc1-2
InChIInChI=1S/C10H9NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h4-5H,2-3H2,1H3/p+1
InChIKeyCADJIWPFOYMHNU-UHFFFAOYSA-O
XLogP2.23
TPSA27.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium?
The IUPAC name of 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium (CID 20600359) is 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium.
What is the SMILES notation for 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium?
The canonical SMILES for 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium is Cc1[nH+]c2c(s1)CCc1occc1-2.
What is the InChIKey of 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium?
The InChIKey is CADJIWPFOYMHNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h4-5H,2-3H2,1H3/p+1.
What are the key properties of 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium?
2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium has a molecular weight of 192.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazol-1-ium is sourced from PubChem (CID 20600359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).