(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one

C19H11F3N2OS2 — CID 135700568

IUPAC(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=c1[nH]/c(=C\c2nc3ccccc3s2)s/c1=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2OS2/c20-19(21,22)12-5-3-4-11(8-12)9-15-18(25)24-17(27-15)10-16-23-13-6-1-2-7-14(13)26-16/h1-10H,(H,24,25)/b15-9-,17-10+
InChIKeyZWHCJXPYERZQSO-NQZUYODNSA-N
MW404.44 g/mol
LogP3.72
Rot. Bonds2

About (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135700568) has the molecular formula C19H11F3N2OS2 and a molecular weight of 404.44 g/mol. Its IUPAC name is (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135700568
Molecular FormulaC19H11F3N2OS2
Molecular Weight404.44 g/mol
Exact Mass404.03
IUPAC Name(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=c1[nH]/c(=C\c2nc3ccccc3s2)s/c1=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2OS2/c20-19(21,22)12-5-3-4-11(8-12)9-15-18(25)24-17(27-15)10-16-23-13-6-1-2-7-14(13)26-16/h1-10H,(H,24,25)/b15-9-,17-10+
InChIKeyZWHCJXPYERZQSO-NQZUYODNSA-N
XLogP3.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135700552
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 74766269
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 6218877
2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 4849580
methyl 2-[(Z)-[(2Z)-2-(1,3-benzothiazol-2-ylmethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135700596
N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3963202
2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfanylacetate
CID 9035893
5,6-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 6147969
(E)-3-(1,3-benzothiazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 9154199
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
N-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8882895
N-(1,3-benzothiazol-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 122186392

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 135700568) is (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is O=c1[nH]/c(=C\c2nc3ccccc3s2)s/c1=C\c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZWHCJXPYERZQSO-NQZUYODNSA-N. The full InChI is InChI=1S/C19H11F3N2OS2/c20-19(21,22)12-5-3-4-11(8-12)9-15-18(25)24-17(27-15)10-16-23-13-6-1-2-7-14(13)26-16/h1-10H,(H,24,25)/b15-9-,17-10+.
What are the key properties of (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 404.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135700568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).