(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C19H15N3O2S2 — CID 134001581

IUPAC(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H15N3O2S2/c23-18-16(11-15-7-4-10-25-15)26-19(24)22(18)13-17-20-8-9-21(17)12-14-5-2-1-3-6-14/h1-11H,12-13H2/b16-11-
InChIKeyLZEVDAINRDHSFN-WJDWOHSUSA-N
MW381.48 g/mol
LogP4.23
Rot. Bonds5

About (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 134001581) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID134001581
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H15N3O2S2/c23-18-16(11-15-7-4-10-25-15)26-19(24)22(18)13-17-20-8-9-21(17)12-14-5-2-1-3-6-14/h1-11H,12-13H2/b16-11-
InChIKeyLZEVDAINRDHSFN-WJDWOHSUSA-N
XLogP4.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-[(4-chlorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1338374
3-benzyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1237848
(5E)-3-[(3-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126172216
(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 38877084
(5Z)-3-[(1-butyltetrazol-5-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18145348
4-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 4273185
4-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 2026565
(5Z)-3-benzyl-5-[[4-(4-chlorophenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 88888245
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663016
(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione
CID 87709377
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 43018863
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 57227886

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 134001581) is (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccs2)C(=O)N1Cc1nccn1Cc1ccccc1.
What is the InChIKey of (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is LZEVDAINRDHSFN-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-18-16(11-15-7-4-10-25-15)26-19(24)22(18)13-17-20-8-9-21(17)12-14-5-2-1-3-6-14/h1-11H,12-13H2/b16-11-.
What are the key properties of (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 381.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 134001581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).