(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

C19H13ClN2O2S2 — CID 2363318

IUPAC(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CS/C1=C/c1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O2S2/c20-13-7-5-12(6-8-13)15(23)10-22-18(24)11-25-19(22)9-17-21-14-3-1-2-4-16(14)26-17/h1-9H,10-11H2/b19-9+
InChIKeyJAIPUMVOUWDXGF-DJKKODMXSA-N
MW400.91 g/mol
LogP4.71
Rot. Bonds4

About (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 2363318) has the molecular formula C19H13ClN2O2S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID2363318
Molecular FormulaC19H13ClN2O2S2
Molecular Weight400.91 g/mol
Exact Mass400.01
IUPAC Name(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CS/C1=C/c1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClN2O2S2/c20-13-7-5-12(6-8-13)15(23)10-22-18(24)11-25-19(22)9-17-21-14-3-1-2-4-16(14)26-17/h1-9H,10-11H2/b19-9+
InChIKeyJAIPUMVOUWDXGF-DJKKODMXSA-N
XLogP4.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 2384628
2-[(2Z)-2-(1,3-benzothiazol-2-ylmethylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 2345359
(2Z,5Z)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2424040
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone
CID 616020
3-[2-(4-bromophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 4967141
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 23847688
N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
(E)-3-(1,3-benzothiazol-2-yl)-2-phenylprop-2-enoic acid
CID 13082335
8-chloro-5-phenacyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 10382057
N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 9350320
[2-(3,4-difluorophenyl)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7905033

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 2363318) is (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CN1C(=O)CS/C1=C/c1nc2ccccc2s1)c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is JAIPUMVOUWDXGF-DJKKODMXSA-N. The full InChI is InChI=1S/C19H13ClN2O2S2/c20-13-7-5-12(6-8-13)15(23)10-22-18(24)11-25-19(22)9-17-21-14-3-1-2-4-16(14)26-17/h1-9H,10-11H2/b19-9+.
What are the key properties of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 400.91 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2363318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).