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

C18H14N4OS2 — CID 135920587

IUPAC(2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1nccs1
InChIInChI=1S/C18H14N4OS2/c1-2-8-22-16(23)15(25-18(22)21-17-19-7-9-24-17)10-12-11-20-14-6-4-3-5-13(12)14/h2-7,9-11,23H,1,8H2/b12-10+,21-18-
InChIKeyCSEYRTWVWBHOAE-RTHZARDRSA-N
MW366.47 g/mol
LogP4.39
Rot. Bonds4

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

(2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (PubChem CID 135920587) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name(2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
PubChem CID135920587
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name(2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1nccs1
InChIInChI=1S/C18H14N4OS2/c1-2-8-22-16(23)15(25-18(22)21-17-19-7-9-24-17)10-12-11-20-14-6-4-3-5-13(12)14/h2-7,9-11,23H,1,8H2/b12-10+,21-18-
InChIKeyCSEYRTWVWBHOAE-RTHZARDRSA-N
XLogP4.39
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135925028
(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
CID 135711437
3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135467632
5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135924939
3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 1233465
2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589567
3-ethyl-2-ethylimino-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135537913
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786
2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589557
3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
CID 137175197
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
6-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-(1,3-thiazol-2-yl)hexanamide
CID 135718253

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The IUPAC name of (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (CID 135920587) is (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.
What is the SMILES notation for (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The canonical SMILES for (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is C=CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1nccs1.
What is the InChIKey of (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
The InChIKey is CSEYRTWVWBHOAE-RTHZARDRSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-2-8-22-16(23)15(25-18(22)21-17-19-7-9-24-17)10-12-11-20-14-6-4-3-5-13(12)14/h2-7,9-11,23H,1,8H2/b12-10+,21-18-.
What are the key properties of (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol?
(2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol has a molecular weight of 366.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is sourced from PubChem (CID 135920587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).