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

C22H21N3O3S — CID 134799938

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn3cc(-c4ccc(OC)cc4)sc3n2)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-17-7-3-15(4-8-17)11-12-23-21(26)19-13-25-14-20(29-22(25)24-19)16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyRHPZHYNWVIASMB-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.05
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134799938) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134799938
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn3cc(-c4ccc(OC)cc4)sc3n2)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-17-7-3-15(4-8-17)11-12-23-21(26)19-13-25-14-20(29-22(25)24-19)16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyRHPZHYNWVIASMB-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134799938) is 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(CCNC(=O)c2cn3cc(-c4ccc(OC)cc4)sc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is RHPZHYNWVIASMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-27-17-7-3-15(4-8-17)11-12-23-21(26)19-13-25-14-20(29-22(25)24-19)16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-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 2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134799938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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