1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid

C17H17N3O2S — CID 117097263

IUPAC1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cccc(-c3cn4ccsc4n3)c2)C1
InChIInChI=1S/C17H17N3O2S/c21-16(22)13-4-2-6-19(10-13)14-5-1-3-12(9-14)15-11-20-7-8-23-17(20)18-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,21,22)
InChIKeySFQOVSYCBMXFOH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid

1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid (PubChem CID 117097263) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid
PubChem CID117097263
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cccc(-c3cn4ccsc4n3)c2)C1
InChIInChI=1S/C17H17N3O2S/c21-16(22)13-4-2-6-19(10-13)14-5-1-3-12(9-14)15-11-20-7-8-23-17(20)18-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,21,22)
InChIKeySFQOVSYCBMXFOH-UHFFFAOYSA-N
XLogP3.36
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071423
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520690
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
CID 7488202
N-(2-phenylimidazo[1,2-a]pyridin-8-yl)-3-pyrrolidin-1-ylbenzamide
CID 58208511
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid (CID 117097263) is 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cccc(-c3cn4ccsc4n3)c2)C1.
What is the InChIKey of 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid?
The InChIKey is SFQOVSYCBMXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-16(22)13-4-2-6-19(10-13)14-5-1-3-12(9-14)15-11-20-7-8-23-17(20)18-15/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,21,22).
What are the key properties of 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid?
1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117097263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).