(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide

C17H13ClN4OS — CID 8862163

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C17H13ClN4OS/c1-10-4-3-5-11(2)14(10)20-16(23)12(9-19)8-13-15(18)21-17-22(13)6-7-24-17/h3-8H,1-2H3,(H,20,23)/b12-8+
InChIKeyVJCMCLASFWOKLK-XYOKQWHBSA-N
MW356.84 g/mol
LogP4.21
Rot. Bonds3

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (PubChem CID 8862163) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
PubChem CID8862163
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12
InChIInChI=1S/C17H13ClN4OS/c1-10-4-3-5-11(2)14(10)20-16(23)12(9-19)8-13-15(18)21-17-22(13)6-7-24-17/h3-8H,1-2H3,(H,20,23)/b12-8+
InChIKeyVJCMCLASFWOKLK-XYOKQWHBSA-N
XLogP4.21
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyanoprop-2-enoic acid
CID 43132250
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 8861671
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
CID 729380
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
(Z)-2-cyano-3-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 22299402
6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
CID 76912976
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24505457
(E)-2-cyano-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714162
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 35438077
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
2-cyano-N-(2,6-dimethylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78649930
2-cyano-3-[4-(diethylamino)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 3980372

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (CID 8862163) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is VJCMCLASFWOKLK-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c1-10-4-3-5-11(2)14(10)20-16(23)12(9-19)8-13-15(18)21-17-22(13)6-7-24-17/h3-8H,1-2H3,(H,20,23)/b12-8+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 356.84 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 8862163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).