3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one

C19H16N4O2S — CID 135711470

IUPAC3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1cccc(C)n1
InChIInChI=1S/C19H16N4O2S/c1-3-23-18(25)16(15-12-8-4-5-9-13(12)21-17(15)24)26-19(23)22-14-10-6-7-11(2)20-14/h4-10,25H,3H2,1-2H3/b22-19+
InChIKeyARQKFEXICHOUJT-ZBJSNUHESA-N
MW364.43 g/mol
LogP1.57
Rot. Bonds3

About 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one

3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135711470) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one
PubChem CID135711470
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1cccc(C)n1
InChIInChI=1S/C19H16N4O2S/c1-3-23-18(25)16(15-12-8-4-5-9-13(12)21-17(15)24)26-19(23)22-14-10-6-7-11(2)20-14/h4-10,25H,3H2,1-2H3/b22-19+
InChIKeyARQKFEXICHOUJT-ZBJSNUHESA-N
XLogP1.57
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one (CID 135711470) is 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one is CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1cccc(C)n1.
What is the InChIKey of 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is ARQKFEXICHOUJT-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-23-18(25)16(15-12-8-4-5-9-13(12)21-17(15)24)26-19(23)22-14-10-6-7-11(2)20-14/h4-10,25H,3H2,1-2H3/b22-19+.
What are the key properties of 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one?
3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 364.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135711470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).