6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C21H23N5O2S — CID 42094183

IUPAC6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccccc1-c1cn2c(C(=O)N(Cc3cnn(C)c3)C(C)C)csc2n1
InChIInChI=1S/C21H23N5O2S/c1-14(2)25(11-15-9-22-24(3)10-15)20(27)18-13-29-21-23-17(12-26(18)21)16-7-5-6-8-19(16)28-4/h5-10,12-14H,11H2,1-4H3
InChIKeyJBUHNFUMSBLXAX-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.86
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42094183) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42094183
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccccc1-c1cn2c(C(=O)N(Cc3cnn(C)c3)C(C)C)csc2n1
InChIInChI=1S/C21H23N5O2S/c1-14(2)25(11-15-9-22-24(3)10-15)20(27)18-13-29-21-23-17(12-26(18)21)16-7-5-6-8-19(16)28-4/h5-10,12-14H,11H2,1-4H3
InChIKeyJBUHNFUMSBLXAX-UHFFFAOYSA-N
XLogP3.86
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137631738
N-[[1-[(3-hydroxy-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137648943
N-[(2-Methoxyphenyl)methyl]-2-{6-phenylimidazo[2,1-B][1,3]thiazol-3-YL}acetamide
CID 7522487
6-phenyl-N-[[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137634385
N-[[1-[(3-hydroxy-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137639939
N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137642139
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137643287
6-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137644594
6-(4-methoxyphenyl)-N-prop-2-ynylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137646577
N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137648343
N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137649040
N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137659361

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42094183) is 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccccc1-c1cn2c(C(=O)N(Cc3cnn(C)c3)C(C)C)csc2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JBUHNFUMSBLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14(2)25(11-15-9-22-24(3)10-15)20(27)18-13-29-21-23-17(12-26(18)21)16-7-5-6-8-19(16)28-4/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42094183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).