4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide

C16H12N2O2S2 — CID 135950146

IUPAC4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc1
InChIInChI=1S/C16H12N2O2S2/c1-10-4-6-11(7-5-10)14(19)17-16-18-15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3,(H,17,18,19,20)/b13-9-
InChIKeySIIZQCBBSNBPKG-LCYFTJDESA-N
MW328.42 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide

4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 135950146) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID135950146
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc1
InChIInChI=1S/C16H12N2O2S2/c1-10-4-6-11(7-5-10)14(19)17-16-18-15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3,(H,17,18,19,20)/b13-9-
InChIKeySIIZQCBBSNBPKG-LCYFTJDESA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 51033233
CID 51033233
CID 71681203
CID 71681203
CID 44337512
CID 44337512
CID 51032937
CID 51032937
CID 4417892
CID 4417892
CID 5095433
CID 5095433
CID 6075442
CID 6075442
CID 70315189
CID 70315189
CID 135923993
CID 135923993
CID 135924000
CID 135924000
CID 51188647
CID 51188647
CID 53562019
CID 53562019

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide (CID 135950146) is 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide is Cc1ccc(C(=O)/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc1.
What is the InChIKey of 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is SIIZQCBBSNBPKG-LCYFTJDESA-N. The full InChI is InChI=1S/C16H12N2O2S2/c1-10-4-6-11(7-5-10)14(19)17-16-18-15(20)13(22-16)9-12-3-2-8-21-12/h2-9H,1H3,(H,17,18,19,20)/b13-9-.
What are the key properties of 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide?
4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 328.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 135950146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).