2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C15H15NO2S — CID 64975744

IUPAC2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CC1c1ccc(-c2nc3c(s2)CCCC3=O)o1
InChIInChI=1S/C15H15NO2S/c1-8-7-9(8)11-5-6-12(18-11)15-16-14-10(17)3-2-4-13(14)19-15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyZNTPYOOOBPHZJO-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.05
Rot. Bonds2

About 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975744) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975744
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CC1c1ccc(-c2nc3c(s2)CCCC3=O)o1
InChIInChI=1S/C15H15NO2S/c1-8-7-9(8)11-5-6-12(18-11)15-16-14-10(17)3-2-4-13(14)19-15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyZNTPYOOOBPHZJO-UHFFFAOYSA-N
XLogP4.05
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975744) is 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC1CC1c1ccc(-c2nc3c(s2)CCCC3=O)o1.
What is the InChIKey of 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is ZNTPYOOOBPHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-8-7-9(8)11-5-6-12(18-11)15-16-14-10(17)3-2-4-13(14)19-15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 273.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylcyclopropyl)furan-2-yl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).