benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate

C23H24N4O4S — CID 155560371

IUPACbenzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate
SMILESCOc1cc(OC)cc(-c2nc3sccn3c2NCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H24N4O4S/c1-29-18-12-17(13-19(14-18)30-2)20-21(27-10-11-32-22(27)26-20)24-8-9-25-23(28)31-15-16-6-4-3-5-7-16/h3-7,10-14,24H,8-9,15H2,1-2H3,(H,25,28)
InChIKeyXZPWWQVJASGYFC-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.42
Rot. Bonds9

About benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate

benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate (PubChem CID 155560371) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate
PubChem CID155560371
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Namebenzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate
SMILESCOc1cc(OC)cc(-c2nc3sccn3c2NCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H24N4O4S/c1-29-18-12-17(13-19(14-18)30-2)20-21(27-10-11-32-22(27)26-20)24-8-9-25-23(28)31-15-16-6-4-3-5-7-16/h3-7,10-14,24H,8-9,15H2,1-2H3,(H,25,28)
InChIKeyXZPWWQVJASGYFC-UHFFFAOYSA-N
XLogP4.42
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate with MolForge

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Related Compounds

(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795862
6-phenyl-N-phenylmethoxyimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 155280683
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 59732315
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 9491906
benzyl N-[4-(6-methoxy-1,3-benzothiazol-2-yl)but-3-ynyl]carbamate
CID 170463304
2-(3-fluorophenyl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 25390779

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate (CID 155560371) is benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate is COc1cc(OC)cc(-c2nc3sccn3c2NCCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate?
The InChIKey is XZPWWQVJASGYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-29-18-12-17(13-19(14-18)30-2)20-21(27-10-11-32-22(27)26-20)24-8-9-25-23(28)31-15-16-6-4-3-5-7-16/h3-7,10-14,24H,8-9,15H2,1-2H3,(H,25,28).
What are the key properties of benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate?
benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate has a molecular weight of 452.54 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate is sourced from PubChem (CID 155560371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).