1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one

C16H18N2O2S — CID 11543990

IUPAC1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSC2)ccn1Cc1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-15-14(11-17-8-9-21-12-17)6-7-18(16(15)20)10-13-4-2-1-3-5-13/h1-7,19H,8-12H2
InChIKeyWNFVDQZDBWFMKS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.11
Rot. Bonds4

About 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one

1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one (PubChem CID 11543990) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one
PubChem CID11543990
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSC2)ccn1Cc1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-15-14(11-17-8-9-21-12-17)6-7-18(16(15)20)10-13-4-2-1-3-5-13/h1-7,19H,8-12H2
InChIKeyWNFVDQZDBWFMKS-UHFFFAOYSA-N
XLogP2.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one (CID 11543990) is 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCSC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one?
The InChIKey is WNFVDQZDBWFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15-14(11-17-8-9-21-12-17)6-7-18(16(15)20)10-13-4-2-1-3-5-13/h1-7,19H,8-12H2.
What are the key properties of 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one?
1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one has a molecular weight of 302.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 11543990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).