(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

C20H13N5S2 — CID 143079146

IUPAC(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(/C(C#N)=c2\[nH]/c(=C(/C#N)c3nc(C)cs3)c3ccccc23)n1
InChIInChI=1S/C20H13N5S2/c1-11-9-26-19(23-11)15(7-21)17-13-5-3-4-6-14(13)18(25-17)16(8-22)20-24-12(2)10-27-20/h3-6,9-10,25H,1-2H3/b17-15-,18-16-
InChIKeyPBENEMWKTPTULO-IQRFGFHNSA-N
MW387.49 g/mol
LogP3.14
Rot. Bonds2

About (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 143079146) has the molecular formula C20H13N5S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID143079146
Molecular FormulaC20H13N5S2
Molecular Weight387.49 g/mol
Exact Mass387.06
IUPAC Name(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(/C(C#N)=c2\[nH]/c(=C(/C#N)c3nc(C)cs3)c3ccccc23)n1
InChIInChI=1S/C20H13N5S2/c1-11-9-26-19(23-11)15(7-21)17-13-5-3-4-6-14(13)18(25-17)16(8-22)20-24-12(2)10-27-20/h3-6,9-10,25H,1-2H3/b17-15-,18-16-
InChIKeyPBENEMWKTPTULO-IQRFGFHNSA-N
XLogP3.14
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile with MolForge

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Related Compounds

3-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 126805931
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
(E)-3-[(6-methyl-2-pyridinyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811344
(E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811749
(E)-3-(2-ethylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811777
(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(quinolin-5-ylamino)prop-2-enenitrile
CID 8812233
(2Z)-2-(4-methyl-1,3-thiazol-2-yl)-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetonitrile
CID 135678997
(Z)-3-[2-(2-methylpropoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 110538667
[[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]amino] 2-fluorobenzoate
CID 4730577
(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(pyridin-4-ylamino)prop-2-enenitrile
CID 8821609
(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylamino)prop-2-enenitrile
CID 8821656

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (CID 143079146) is (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is Cc1csc(/C(C#N)=c2\[nH]/c(=C(/C#N)c3nc(C)cs3)c3ccccc23)n1.
What is the InChIKey of (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is PBENEMWKTPTULO-IQRFGFHNSA-N. The full InChI is InChI=1S/C20H13N5S2/c1-11-9-26-19(23-11)15(7-21)17-13-5-3-4-6-14(13)18(25-17)16(8-22)20-24-12(2)10-27-20/h3-6,9-10,25H,1-2H3/b17-15-,18-16-.
What are the key properties of (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
(2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 387.49 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3Z)-3-[cyano-(4-methyl-1,3-thiazol-2-yl)methylidene]isoindol-1-ylidene]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 143079146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).