(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H12N2O2S3 — CID 154615033

IUPAC(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1
InChIInChI=1S/C14H12N2O2S3/c1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11/h3-7H,1-2H3,(H,15,17,18)/b11-7-
InChIKeyULJCSFVCKOVDSG-XFFZJAGNSA-N
MW336.46 g/mol
LogP3.87
Rot. Bonds3

About (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 154615033) has the molecular formula C14H12N2O2S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID154615033
Molecular FormulaC14H12N2O2S3
Molecular Weight336.46 g/mol
Exact Mass336.01
IUPAC Name(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1
InChIInChI=1S/C14H12N2O2S3/c1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11/h3-7H,1-2H3,(H,15,17,18)/b11-7-
InChIKeyULJCSFVCKOVDSG-XFFZJAGNSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
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

2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 157368011
5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75023402
[5-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]-2-methylphenyl]-methyl-oxoazanium
CID 58107824
[5-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]-2-methylphenyl]-hydroxy-methylazanium
CID 142877896
(5E)-2-sulfanylidene-5-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 45052909
2-[3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]phenyl]ethylcarbamic acid
CID 173049515
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
5-[[5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75081340
(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18773922
(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
CID 23128889
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 154615033) is (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1.
What is the InChIKey of (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ULJCSFVCKOVDSG-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H12N2O2S3/c1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11/h3-7H,1-2H3,(H,15,17,18)/b11-7-.
What are the key properties of (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154615033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).