(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one

C17H14N2OS — CID 2249423

IUPAC(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C\c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-19(14-10-6-3-7-11-14)17-18-16(20)15(21-17)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12+
InChIKeyITGOTKMPGQHAMR-NTCAYCPXSA-N
MW294.38 g/mol
LogP3.79
Rot. Bonds2

About (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one

(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one (PubChem CID 2249423) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one
PubChem CID2249423
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C\c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-19(14-10-6-3-7-11-14)17-18-16(20)15(21-17)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12+
InChIKeyITGOTKMPGQHAMR-NTCAYCPXSA-N
XLogP3.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
3-(4-Methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052838
5-(4-Dimethylamino-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 715217
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one (CID 2249423) is (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one is CN(C1=NC(=O)/C(=C\c2ccccc2)S1)c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one?
The InChIKey is ITGOTKMPGQHAMR-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-19(14-10-6-3-7-11-14)17-18-16(20)15(21-17)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12+.
What are the key properties of (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one?
(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 2249423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).