N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

C29H29N3O6S — CID 4099600

IUPACN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCc2csc3nc(-c4cc(OC)ccc4OC)cn23)Cc2ccco2)c1
InChIInChI=1S/C29H29N3O6S/c1-34-21-7-8-27(37-4)25(15-21)26-17-32-20(18-39-29(32)30-26)9-10-31(16-22-6-5-11-38-22)28(33)19-12-23(35-2)14-24(13-19)36-3/h5-8,11-15,17-18H,9-10,16H2,1-4H3
InChIKeySDGQETXENSAOLM-UHFFFAOYSA-N
MW547.63 g/mol
LogP5.58
Rot. Bonds11

About N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (PubChem CID 4099600) has the molecular formula C29H29N3O6S and a molecular weight of 547.63 g/mol. Its IUPAC name is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
PubChem CID4099600
Molecular FormulaC29H29N3O6S
Molecular Weight547.63 g/mol
Exact Mass547.18
IUPAC NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCc2csc3nc(-c4cc(OC)ccc4OC)cn23)Cc2ccco2)c1
InChIInChI=1S/C29H29N3O6S/c1-34-21-7-8-27(37-4)25(15-21)26-17-32-20(18-39-29(32)30-26)9-10-31(16-22-6-5-11-38-22)28(33)19-12-23(35-2)14-24(13-19)36-3/h5-8,11-15,17-18H,9-10,16H2,1-4H3
InChIKeySDGQETXENSAOLM-UHFFFAOYSA-N
XLogP5.58
TPSA87.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.63
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 4685024
N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5051801
N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3508560
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421
N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 4172947
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42793061
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 4172465
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-naphthalen-1-yl-1-(oxolan-2-ylmethyl)urea
CID 3555212
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 4164817
1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
CID 42788883
3-butyl-1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
CID 4198842

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (CID 4099600) is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CCc2csc3nc(-c4cc(OC)ccc4OC)cn23)Cc2ccco2)c1.
What is the InChIKey of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The InChIKey is SDGQETXENSAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S/c1-34-21-7-8-27(37-4)25(15-21)26-17-32-20(18-39-29(32)30-26)9-10-31(16-22-6-5-11-38-22)28(33)19-12-23(35-2)14-24(13-19)36-3/h5-8,11-15,17-18H,9-10,16H2,1-4H3.
What are the key properties of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide has a molecular weight of 547.63 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 4099600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).