2-methylfuro[3,2-e][1,3]benzothiazole

C10H7NOS — CID 20600357

IUPAC2-methylfuro[3,2-e][1,3]benzothiazole
SMILESCc1nc2c(ccc3occc32)s1
InChIInChI=1S/C10H7NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h2-5H,1H3
InChIKeyJXGWTAZXILJVDY-UHFFFAOYSA-N
MW189.24 g/mol
LogP3.35
Rot. Bonds

About 2-methylfuro[3,2-e][1,3]benzothiazole

2-methylfuro[3,2-e][1,3]benzothiazole (PubChem CID 20600357) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-methylfuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-methylfuro[3,2-e][1,3]benzothiazole
PubChem CID20600357
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name2-methylfuro[3,2-e][1,3]benzothiazole
SMILESCc1nc2c(ccc3occc32)s1
InChIInChI=1S/C10H7NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h2-5H,1H3
InChIKeyJXGWTAZXILJVDY-UHFFFAOYSA-N
XLogP3.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2Z)-5-fluoro-2-[[1-(3-sulfonatopropyl)furo[3,2-e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
CID 20600327
2-[(2Z)-2-[[1-(carboxymethyl)furo[3,2-e][1,3]benzothiazol-1-ium-2-yl]methylidene]-5-fluoro-1,3-benzothiazol-3-yl]acetic acid
CID 20600331
3-[2-[(E)-[3-[(E,3Z)-3-(3-ethyl-5-fluoro-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]furo[3,2-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
CID 59111157
5-(Trifluoromethyl)furo[3,2-e][1,3]benzothiazole
CID 59782162
5-Methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
CID 59782187
2,5,7-Tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
CID 59782189
2-Methyl-7-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
CID 59782203
2-[(E)-[2-chloro-3-[(Z)-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)methyl]-5-methylcyclohex-2-en-1-ylidene]methyl]-1-ethylfuro[3,2-e][1,3]benzothiazol-1-ium
CID 60068064
2-[[2-Chloro-3-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)methyl]-5-methylcyclohex-2-en-1-ylidene]methyl]-1-ethylfuro[3,2-e][1,3]benzothiazol-1-ium
CID 72639587
3-[5-Fluoro-2-[[1-(3-sulfopropyl)furo[3,2-e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
CID 73684292
2-[2-[[1-(Carboxymethyl)furo[3,2-e][1,3]benzothiazol-1-ium-2-yl]methylidene]-5-fluoro-1,3-benzothiazol-3-yl]acetic acid
CID 73684295
9-Oxa-3-thia-1-azacyclopenta[b]fluoren-2-ylamine
CID 12290560

Frequently Asked Questions

What is the IUPAC name of 2-methylfuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-methylfuro[3,2-e][1,3]benzothiazole (CID 20600357) is 2-methylfuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-methylfuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-methylfuro[3,2-e][1,3]benzothiazole is Cc1nc2c(ccc3occc32)s1.
What is the InChIKey of 2-methylfuro[3,2-e][1,3]benzothiazole?
The InChIKey is JXGWTAZXILJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h2-5H,1H3.
What are the key properties of 2-methylfuro[3,2-e][1,3]benzothiazole?
2-methylfuro[3,2-e][1,3]benzothiazole has a molecular weight of 189.24 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 20600357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).