(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one

C20H17FN2OS2 — CID 118642605

IUPAC(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
SMILESCCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS2/c1-3-23-17(12-13-8-10-14(21)11-9-13)26-18(19(23)24)20-22(2)15-6-4-5-7-16(15)25-20/h4-12H,3H2,1-2H3/b17-12-,20-18+
InChIKeyBNDSPPZIZUTZFU-PROFYQSDSA-N
MW384.50 g/mol
LogP3.21
Rot. Bonds2

About (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one

(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one (PubChem CID 118642605) has the molecular formula C20H17FN2OS2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
PubChem CID118642605
Molecular FormulaC20H17FN2OS2
Molecular Weight384.50 g/mol
Exact Mass384.08
IUPAC Name(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
SMILESCCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS2/c1-3-23-17(12-13-8-10-14(21)11-9-13)26-18(19(23)24)20-22(2)15-6-4-5-7-16(15)25-20/h4-12H,3H2,1-2H3/b17-12-,20-18+
InChIKeyBNDSPPZIZUTZFU-PROFYQSDSA-N
XLogP3.21
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one (CID 118642605) is (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one is CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc(F)cc1.
What is the InChIKey of (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is BNDSPPZIZUTZFU-PROFYQSDSA-N. The full InChI is InChI=1S/C20H17FN2OS2/c1-3-23-17(12-13-8-10-14(21)11-9-13)26-18(19(23)24)20-22(2)15-6-4-5-7-16(15)25-20/h4-12H,3H2,1-2H3/b17-12-,20-18+.
What are the key properties of (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one?
(2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 384.50 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-ethyl-2-[(4-fluorophenyl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).