N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

C18H17N3O2S2 — CID 19204783

IUPACN-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)N1C=O
InChIInChI=1S/C18H17N3O2S2/c1-18(2)21(11-22)14(10-24-18)16(23)20-17-13(9-19)8-15(25-17)12-6-4-3-5-7-12/h3-8,11,14H,10H2,1-2H3,(H,20,23)
InChIKeyXJGKPGFYHMUILQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.54
Rot. Bonds4

About N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 19204783) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID19204783
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)N1C=O
InChIInChI=1S/C18H17N3O2S2/c1-18(2)21(11-22)14(10-24-18)16(23)20-17-13(9-19)8-15(25-17)12-6-4-3-5-7-12/h3-8,11,14H,10H2,1-2H3,(H,20,23)
InChIKeyXJGKPGFYHMUILQ-UHFFFAOYSA-N
XLogP3.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 19204783) is N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SCC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)N1C=O.
What is the InChIKey of N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XJGKPGFYHMUILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-18(2)21(11-22)14(10-24-18)16(23)20-17-13(9-19)8-15(25-17)12-6-4-3-5-7-12/h3-8,11,14H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 19204783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).