(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol

C20H16N4OS — CID 135711437

IUPAC(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccn1
InChIInChI=1S/C20H16N4OS/c1-2-11-24-19(25)17(26-20(24)23-18-9-5-6-10-21-18)12-14-13-22-16-8-4-3-7-15(14)16/h2-10,12-13,25H,1,11H2/b14-12+,23-20+
InChIKeyDXQCTFBQBFPWDA-SGJIEQFKSA-N
MW360.44 g/mol
LogP4.33
Rot. Bonds4

About (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol

(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol (PubChem CID 135711437) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
PubChem CID135711437
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccn1
InChIInChI=1S/C20H16N4OS/c1-2-11-24-19(25)17(26-20(24)23-18-9-5-6-10-21-18)12-14-13-22-16-8-4-3-7-15(14)16/h2-10,12-13,25H,1,11H2/b14-12+,23-20+
InChIKeyDXQCTFBQBFPWDA-SGJIEQFKSA-N
XLogP4.33
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol?
The IUPAC name of (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol (CID 135711437) is (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol.
What is the SMILES notation for (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol?
The canonical SMILES for (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol is C=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccn1.
What is the InChIKey of (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol?
The InChIKey is DXQCTFBQBFPWDA-SGJIEQFKSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-2-11-24-19(25)17(26-20(24)23-18-9-5-6-10-21-18)12-14-13-22-16-8-4-3-7-15(14)16/h2-10,12-13,25H,1,11H2/b14-12+,23-20+.
What are the key properties of (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol?
(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol has a molecular weight of 360.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 135711437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).