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

C15H14N2O2S3 — CID 38877084

IUPAC(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1nc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cs1
InChIInChI=1S/C15H14N2O2S3/c1-9(2)13-16-10(8-21-13)7-17-14(18)12(22-15(17)19)6-11-4-3-5-20-11/h3-6,8-9H,7H2,1-2H3/b12-6-
InChIKeyRISAHTJGYRLLLR-SDQBBNPISA-N
MW350.49 g/mol
LogP4.56
Rot. Bonds4

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

(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 38877084) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID38877084
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC Name(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1nc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cs1
InChIInChI=1S/C15H14N2O2S3/c1-9(2)13-16-10(8-21-13)7-17-14(18)12(22-15(17)19)6-11-4-3-5-20-11/h3-6,8-9H,7H2,1-2H3/b12-6-
InChIKeyRISAHTJGYRLLLR-SDQBBNPISA-N
XLogP4.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.56
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

N-[4-[[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 24591914
(5E)-3-[(4-chlorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1338374
(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 24619230
(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 134001581
(5Z)-3-[(1-butyltetrazol-5-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18145348
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 46688711
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-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 42263045
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 43018863
(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842792
N-cyclopropyl-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 42261514

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 38877084) is (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is CC(C)c1nc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cs1.
What is the InChIKey of (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is RISAHTJGYRLLLR-SDQBBNPISA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-9(2)13-16-10(8-21-13)7-17-14(18)12(22-15(17)19)6-11-4-3-5-20-11/h3-6,8-9H,7H2,1-2H3/b12-6-.
What are the key properties of (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 350.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 38877084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).