(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

C17H19N3OS — CID 8685233

IUPAC(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCCN(CC)c1ccc(/C=c2\s/c(=C\C#N)n(C)c2=O)cc1
InChIInChI=1S/C17H19N3OS/c1-4-20(5-2)14-8-6-13(7-9-14)12-15-17(21)19(3)16(22-15)10-11-18/h6-10,12H,4-5H2,1-3H3/b15-12-,16-10-
InChIKeyQQKURGQRKQVSTD-LKZVPGCSSA-N
MW313.43 g/mol
LogP1.43
Rot. Bonds4

About (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 8685233) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID8685233
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCCN(CC)c1ccc(/C=c2\s/c(=C\C#N)n(C)c2=O)cc1
InChIInChI=1S/C17H19N3OS/c1-4-20(5-2)14-8-6-13(7-9-14)12-15-17(21)19(3)16(22-15)10-11-18/h6-10,12H,4-5H2,1-3H3/b15-12-,16-10-
InChIKeyQQKURGQRKQVSTD-LKZVPGCSSA-N
XLogP1.43
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(5Z)-3-methyl-4-oxo-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829588
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
(2Z)-2-[(5Z)-5-[[3-[(E)-[(2Z)-2-(cyanomethylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829379
(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829604
(2Z)-2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829624
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816455
(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829400
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3930330
3-(4-bromophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3247639
(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
CID 2327710
3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2936930
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2465949

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (CID 8685233) is (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is CCN(CC)c1ccc(/C=c2\s/c(=C\C#N)n(C)c2=O)cc1.
What is the InChIKey of (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is QQKURGQRKQVSTD-LKZVPGCSSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-20(5-2)14-8-6-13(7-9-14)12-15-17(21)19(3)16(22-15)10-11-18/h6-10,12H,4-5H2,1-3H3/b15-12-,16-10-.
What are the key properties of (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 313.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 8685233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).