5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

C19H21N3O2S — CID 165412709

IUPAC5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESCc1ccc(-c2c(CN3CCCCC3)nc3scc(C(=O)O)n23)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-5-7-14(8-6-13)17-15(11-21-9-3-2-4-10-21)20-19-22(17)16(12-25-19)18(23)24/h5-8,12H,2-4,9-11H2,1H3,(H,23,24)
InChIKeyPGZHYLDDJOVDMW-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.06
Rot. Bonds4

About 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (PubChem CID 165412709) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
PubChem CID165412709
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESCc1ccc(-c2c(CN3CCCCC3)nc3scc(C(=O)O)n23)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-5-7-14(8-6-13)17-15(11-21-9-3-2-4-10-21)20-19-22(17)16(12-25-19)18(23)24/h5-8,12H,2-4,9-11H2,1H3,(H,23,24)
InChIKeyPGZHYLDDJOVDMW-UHFFFAOYSA-N
XLogP4.06
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid
CID 70689956
2-(1-Methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 72543866
Dhfr-IN-4
CID 165412710
2-(5-Methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 72547456
Ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716422
Ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716427
Ethyl 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 168270008
Ethyl 5-(4-bromophenyl)-6-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 168272063
5-(4-Bromophenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 168282080
N'-butanoyl-5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 168283897
Ethyl 5-(4-bromophenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 168284535
5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 168285902

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (CID 165412709) is 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is Cc1ccc(-c2c(CN3CCCCC3)nc3scc(C(=O)O)n23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The InChIKey is PGZHYLDDJOVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-5-7-14(8-6-13)17-15(11-21-9-3-2-4-10-21)20-19-22(17)16(12-25-19)18(23)24/h5-8,12H,2-4,9-11H2,1H3,(H,23,24).
What are the key properties of 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid has a molecular weight of 355.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-(piperidin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 165412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).