5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol

C19H16N4O2S2 — CID 135925028

IUPAC5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(C=C2C=Nc3cc(OC)ccc32)sc1=Nc1nccs1
InChIInChI=1S/C19H16N4O2S2/c1-3-7-23-17(24)16(27-19(23)22-18-20-6-8-26-18)9-12-11-21-15-10-13(25-2)4-5-14(12)15/h3-6,8-11,24H,1,7H2,2H3
InChIKeyRYXJGMQCAQLQID-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.40
Rot. Bonds5

About 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol

5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (PubChem CID 135925028) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
PubChem CID135925028
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(C=C2C=Nc3cc(OC)ccc32)sc1=Nc1nccs1
InChIInChI=1S/C19H16N4O2S2/c1-3-7-23-17(24)16(27-19(23)22-18-20-6-8-26-18)9-12-11-21-15-10-13(25-2)4-5-14(12)15/h3-6,8-11,24H,1,7H2,2H3
InChIKeyRYXJGMQCAQLQID-UHFFFAOYSA-N
XLogP4.40
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The IUPAC name of 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (CID 135925028) is 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is C=CCn1c(O)c(C=C2C=Nc3cc(OC)ccc32)sc1=Nc1nccs1.
What is the InChIKey of 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The InChIKey is RYXJGMQCAQLQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-3-7-23-17(24)16(27-19(23)22-18-20-6-8-26-18)9-12-11-21-15-10-13(25-2)4-5-14(12)15/h3-6,8-11,24H,1,7H2,2H3.
What are the key properties of 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol has a molecular weight of 396.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is sourced from PubChem (CID 135925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).