(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide

C19H16N2O3S — CID 75458974

IUPAC(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(O)c3)s2)cc1
InChIInChI=1S/C19H16N2O3S/c1-12-5-7-14(8-6-12)20-17(23)11-18-21-19(24)16(25-18)10-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23)(H,21,24)/b16-10-,18-11-
InChIKeyPCJFSTWLAORPCQ-NHLSHGKWSA-N
MW352.42 g/mol
LogP1.70
Rot. Bonds3

About (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide

(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (PubChem CID 75458974) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
PubChem CID75458974
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(O)c3)s2)cc1
InChIInChI=1S/C19H16N2O3S/c1-12-5-7-14(8-6-12)20-17(23)11-18-21-19(24)16(25-18)10-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23)(H,21,24)/b16-10-,18-11-
InChIKeyPCJFSTWLAORPCQ-NHLSHGKWSA-N
XLogP1.70
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2E)-2-[(2E)-2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 6186973
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 4849271
N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide
CID 98687732
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 74766269
5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 3633056
N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 5041906
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8831834
3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 5205185
(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6393556

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (CID 75458974) is (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(O)c3)s2)cc1.
What is the InChIKey of (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The InChIKey is PCJFSTWLAORPCQ-NHLSHGKWSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-5-7-14(8-6-12)20-17(23)11-18-21-19(24)16(25-18)10-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23)(H,21,24)/b16-10-,18-11-.
What are the key properties of (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 75458974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).