3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one

C18H14N4O2S — CID 135711434

IUPAC3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1ccccn1
InChIInChI=1S/C18H14N4O2S/c1-2-22-17(24)15(25-18(22)21-13-9-5-6-10-19-13)14-11-7-3-4-8-12(11)20-16(14)23/h3-10,24H,2H2,1H3/b21-18+
InChIKeyDEYOKYLAIJNRRH-DYTRJAOYSA-N
MW350.40 g/mol
LogP1.26
Rot. Bonds3

About 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one

3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135711434) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one
PubChem CID135711434
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1ccccn1
InChIInChI=1S/C18H14N4O2S/c1-2-22-17(24)15(25-18(22)21-13-9-5-6-10-19-13)14-11-7-3-4-8-12(11)20-16(14)23/h3-10,24H,2H2,1H3/b21-18+
InChIKeyDEYOKYLAIJNRRH-DYTRJAOYSA-N
XLogP1.26
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.26
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-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one (CID 135711434) is 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one is CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1ccccn1.
What is the InChIKey of 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is DEYOKYLAIJNRRH-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-2-22-17(24)15(25-18(22)21-13-9-5-6-10-19-13)14-11-7-3-4-8-12(11)20-16(14)23/h3-10,24H,2H2,1H3/b21-18+.
What are the key properties of 3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one?
3-[(2E)-3-ethyl-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 350.40 g/mol, XLogP of 1.26, 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-pyridin-2-ylimino-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135711434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).