2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C13H14N2O2S — CID 64976881

IUPAC2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN(Cc1ccoc1)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H14N2O2S/c1-15(7-9-5-6-17-8-9)13-14-12-10(16)3-2-4-11(12)18-13/h5-6,8H,2-4,7H2,1H3
InChIKeyNDYGTSWBCNSFOF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976881) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976881
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN(Cc1ccoc1)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H14N2O2S/c1-15(7-9-5-6-17-8-9)13-14-12-10(16)3-2-4-11(12)18-13/h5-6,8H,2-4,7H2,1H3
InChIKeyNDYGTSWBCNSFOF-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976881) is 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CN(Cc1ccoc1)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is NDYGTSWBCNSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(7-9-5-6-17-8-9)13-14-12-10(16)3-2-4-11(12)18-13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 262.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).