6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H21N3O3S — CID 42270727

IUPAC6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)NCCc4cccc(OC)c4)csc3n2)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-17-8-6-16(7-9-17)19-13-25-20(14-29-22(25)24-19)21(26)23-11-10-15-4-3-5-18(12-15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,26)
InChIKeyXPDJIQQXRPLXRQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.05
Rot. Bonds7

About 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270727) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270727
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)NCCc4cccc(OC)c4)csc3n2)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-17-8-6-16(7-9-17)19-13-25-20(14-29-22(25)24-19)21(26)23-11-10-15-4-3-5-18(12-15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,26)
InChIKeyXPDJIQQXRPLXRQ-UHFFFAOYSA-N
XLogP4.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271606
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
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
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
6-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270031
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270020
6-(3-methoxyphenyl)-N-(6-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270091
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270727) is 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccc(-c2cn3c(C(=O)NCCc4cccc(OC)c4)csc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is XPDJIQQXRPLXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-27-17-8-6-16(7-9-17)19-13-25-20(14-29-22(25)24-19)21(26)23-11-10-15-4-3-5-18(12-15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).