3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one

C17H12N4O2S2 — CID 137175197

IUPAC3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1nccs1
InChIInChI=1S/C17H12N4O2S2/c1-2-8-21-15(23)13(25-17(21)20-16-18-7-9-24-16)12-10-5-3-4-6-11(10)19-14(12)22/h2-7,9,23H,1,8H2/b20-17-
InChIKeyVMXSONOGTJAKTA-JZJYNLBNSA-N
MW368.44 g/mol
LogP1.49
Rot. Bonds4

About 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one

3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 137175197) has the molecular formula C17H12N4O2S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
PubChem CID137175197
Molecular FormulaC17H12N4O2S2
Molecular Weight368.44 g/mol
Exact Mass368.04
IUPAC Name3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1nccs1
InChIInChI=1S/C17H12N4O2S2/c1-2-8-21-15(23)13(25-17(21)20-16-18-7-9-24-16)12-10-5-3-4-6-11(10)19-14(12)22/h2-7,9,23H,1,8H2/b20-17-
InChIKeyVMXSONOGTJAKTA-JZJYNLBNSA-N
XLogP1.49
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one (CID 137175197) is 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1nccs1.
What is the InChIKey of 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is VMXSONOGTJAKTA-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H12N4O2S2/c1-2-8-21-15(23)13(25-17(21)20-16-18-7-9-24-16)12-10-5-3-4-6-11(10)19-14(12)22/h2-7,9,23H,1,8H2/b20-17-.
What are the key properties of 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 137175197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).