(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

C18H15N5O2S2 — CID 7559372

IUPAC(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
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=Nc1nnc(C)s1
InChIInChI=1S/C18H15N5O2S2/c1-4-9-23-16(25)14(27-18(23)19-17-21-20-10(2)26-17)13-11-7-5-6-8-12(11)22(3)15(13)24/h4-8H,1,9H2,2-3H3/b14-13-,19-18?
InChIKeyVLONXGZOAUMPFV-XAHMHOJXSA-N
MW397.49 g/mol
LogP2.98
Rot. Bonds3

About (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

(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 (PubChem CID 7559372) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID7559372
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC Name(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
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=Nc1nnc(C)s1
InChIInChI=1S/C18H15N5O2S2/c1-4-9-23-16(25)14(27-18(23)19-17-21-20-10(2)26-17)13-11-7-5-6-8-12(11)22(3)15(13)24/h4-8H,1,9H2,2-3H3/b14-13-,19-18?
InChIKeyVLONXGZOAUMPFV-XAHMHOJXSA-N
XLogP2.98
TPSA78.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.98
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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-(1-methyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18843433
(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
(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-[(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
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18846010
(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845370
(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
(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
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842404
(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
3-(4-methylphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4267809
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=Nc1nnc(C)s1.
What is the InChIKey of (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?
The InChIKey is VLONXGZOAUMPFV-XAHMHOJXSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-4-9-23-16(25)14(27-18(23)19-17-21-20-10(2)26-17)13-11-7-5-6-8-12(11)22(3)15(13)24/h4-8H,1,9H2,2-3H3/b14-13-,19-18?.
What are the key properties of (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?
(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 has a molecular weight of 397.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 7559372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).