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

C19H17N3O2S2 — CID 22578782

IUPAC6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NCc4cccs4)sc3n2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-12-17(18(23)20-10-15-4-3-9-25-15)26-19-21-16(11-22(12)19)13-5-7-14(24-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyAPQISSSCBYGQRT-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.37
Rot. Bonds5

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

6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 22578782) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID22578782
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NCc4cccs4)sc3n2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-12-17(18(23)20-10-15-4-3-9-25-15)26-19-21-16(11-22(12)19)13-5-7-14(24-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyAPQISSSCBYGQRT-UHFFFAOYSA-N
XLogP4.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608
6-(4-methoxyphenyl)-3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031651
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031695
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
6-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348878
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 22578782) is 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)NCc4cccs4)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is APQISSSCBYGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-12-17(18(23)20-10-15-4-3-9-25-15)26-19-21-16(11-22(12)19)13-5-7-14(24-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 22578782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).