(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C21H17ClN4O3S — CID 99140772

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)n2)cc1OC
InChIInChI=1S/C21H17ClN4O3S/c1-28-16-8-6-13(11-17(16)29-2)14-12-30-21(23-14)25-19(27)9-7-15-20(22)24-18-5-3-4-10-26(15)18/h3-12H,1-2H3,(H,23,25,27)/b9-7+
InChIKeyBKNWEDBFDKVMPN-VQHVLOKHSA-N
MW440.91 g/mol
LogP4.78
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 99140772) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID99140772
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)n2)cc1OC
InChIInChI=1S/C21H17ClN4O3S/c1-28-16-8-6-13(11-17(16)29-2)14-12-30-21(23-14)25-19(27)9-7-15-20(22)24-18-5-3-4-10-26(15)18/h3-12H,1-2H3,(H,23,25,27)/b9-7+
InChIKeyBKNWEDBFDKVMPN-VQHVLOKHSA-N
XLogP4.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]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

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4682996
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 86950286
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 4641140
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108756821
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49319838

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 99140772) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(-c2csc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)n2)cc1OC.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is BKNWEDBFDKVMPN-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-28-16-8-6-13(11-17(16)29-2)14-12-30-21(23-14)25-19(27)9-7-15-20(22)24-18-5-3-4-10-26(15)18/h3-12H,1-2H3,(H,23,25,27)/b9-7+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 440.91 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 99140772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).