(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

C19H17N5OS2 — CID 18845958

IUPAC(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1nnc(C)s1
InChIInChI=1S/C19H17N5OS2/c1-4-9-24-17(25)16(27-19(24)20-18-22-21-12(2)26-18)10-13-11-23(3)15-8-6-5-7-14(13)15/h4-8,10-11H,1,9H2,2-3H3/b16-10-,20-19+
InChIKeyOMZOJKAJPDJHBO-ZDWRFWLISA-N
MW395.51 g/mol
LogP4.13
Rot. Bonds4

About (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18845958) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID18845958
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1nnc(C)s1
InChIInChI=1S/C19H17N5OS2/c1-4-9-24-17(25)16(27-19(24)20-18-22-21-12(2)26-18)10-13-11-23(3)15-8-6-5-7-14(13)15/h4-8,10-11H,1,9H2,2-3H3/b16-10-,20-19+
InChIKeyOMZOJKAJPDJHBO-ZDWRFWLISA-N
XLogP4.13
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5Z)-3-ethyl-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845856
(5E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-(naphthalen-1-ylmethylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559806
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27434018
(5E)-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1301236
(2E,5E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845963
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845972
(2E,5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845814
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559372
(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845962
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559826
(2E,5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845863
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845938

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18845958) is (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1nnc(C)s1.
What is the InChIKey of (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is OMZOJKAJPDJHBO-ZDWRFWLISA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-4-9-24-17(25)16(27-19(24)20-18-22-21-12(2)26-18)10-13-11-23(3)15-8-6-5-7-14(13)15/h4-8,10-11H,1,9H2,2-3H3/b16-10-,20-19+.
What are the key properties of (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 395.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).