(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one

C14H11NO2S — CID 154722042

IUPAC(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1C[C@@H](c2ccco2)SC(c2ccccc2)=N1
InChIInChI=1S/C14H11NO2S/c16-13-9-12(11-7-4-8-17-11)18-14(15-13)10-5-2-1-3-6-10/h1-8,12H,9H2/t12-/m0/s1
InChIKeyROZKBOHVEPRETK-LBPRGKRZSA-N
MW257.31 g/mol
LogP3.43
Rot. Bonds2

About (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one

(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 154722042) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one
PubChem CID154722042
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1C[C@@H](c2ccco2)SC(c2ccccc2)=N1
InChIInChI=1S/C14H11NO2S/c16-13-9-12(11-7-4-8-17-11)18-14(15-13)10-5-2-1-3-6-10/h1-8,12H,9H2/t12-/m0/s1
InChIKeyROZKBOHVEPRETK-LBPRGKRZSA-N
XLogP3.43
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one (CID 154722042) is (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one is O=C1C[C@@H](c2ccco2)SC(c2ccccc2)=N1.
What is the InChIKey of (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is ROZKBOHVEPRETK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-13-9-12(11-7-4-8-17-11)18-14(15-13)10-5-2-1-3-6-10/h1-8,12H,9H2/t12-/m0/s1.
What are the key properties of (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one?
(6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 257.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(furan-2-yl)-2-phenyl-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 154722042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).