N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C21H19N3O2S — CID 42271606

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H19N3O2S/c1-26-17-9-5-6-15(12-17)10-11-22-20(25)19-14-27-21-23-18(13-24(19)21)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeyFCQJPJGGQQJFGR-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271606) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271606
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C21H19N3O2S/c1-26-17-9-5-6-15(12-17)10-11-22-20(25)19-14-27-21-23-18(13-24(19)21)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeyFCQJPJGGQQJFGR-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270727
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413
N-(2-methoxyphenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270820
N-(2,4-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271416
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
6-(3-methoxyphenyl)-N-(6-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270091
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
6-(4-methoxyphenyl)-N-(2-phenylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270687
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271606) is N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1cccc(CCNC(=O)c2csc3nc(-c4ccccc4)cn23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FCQJPJGGQQJFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-17-9-5-6-15(12-17)10-11-22-20(25)19-14-27-21-23-18(13-24(19)21)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).