3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide

C23H21N3O3S — CID 43034625

IUPAC3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O3S/c1-4-8-16-13-17(14-18(28-2)20(16)29-3)22(27)25-21-19(15-9-6-5-7-10-15)24-23-26(21)11-12-30-23/h4-7,9-14H,1,8H2,2-3H3,(H,25,27)
InChIKeyFCWZUYFSIWWZSM-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.06
Rot. Bonds7

About 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide (PubChem CID 43034625) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide
PubChem CID43034625
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O3S/c1-4-8-16-13-17(14-18(28-2)20(16)29-3)22(27)25-21-19(15-9-6-5-7-10-15)24-23-26(21)11-12-30-23/h4-7,9-14H,1,8H2,2-3H3,(H,25,27)
InChIKeyFCWZUYFSIWWZSM-UHFFFAOYSA-N
XLogP5.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39441999
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17424042
3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
CID 41360681
3,4-dimethoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-prop-2-enylbenzohydrazide
CID 24541970

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide (CID 43034625) is 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide?
The InChIKey is FCWZUYFSIWWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-4-8-16-13-17(14-18(28-2)20(16)29-3)22(27)25-21-19(15-9-6-5-7-10-15)24-23-26(21)11-12-30-23/h4-7,9-14H,1,8H2,2-3H3,(H,25,27).
What are the key properties of 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide has a molecular weight of 419.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 43034625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).