1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C15H15N5O3S — CID 56889059

IUPAC1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1cn2ccsc2n1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C15H15N5O3S/c21-12(11-10-19-8-9-24-14(19)17-11)18-6-2-15(3-7-18,13(22)23)20-5-1-4-16-20/h1,4-5,8-10H,2-3,6-7H2,(H,22,23)
InChIKeyBDEHTTJTUNPIBS-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.31
Rot. Bonds3

About 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56889059) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56889059
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1cn2ccsc2n1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C15H15N5O3S/c21-12(11-10-19-8-9-24-14(19)17-11)18-6-2-15(3-7-18,13(22)23)20-5-1-4-16-20/h1,4-5,8-10H,2-3,6-7H2,(H,22,23)
InChIKeyBDEHTTJTUNPIBS-UHFFFAOYSA-N
XLogP1.31
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
CID 56865263
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 110853655
imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853246
1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56895738
2-[(4aS,8aS)-4a-(hydroxymethyl)-7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]acetic acid
CID 135098986
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914858
imidazo[2,1-b][1,3]thiazol-6-yl-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135107101
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773
1-(2-methyl-1-benzofuran-7-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56892046
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56904889

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56889059) is 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(c1cn2ccsc2n1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is BDEHTTJTUNPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-12(11-10-19-8-9-24-14(19)17-11)18-6-2-15(3-7-18,13(22)23)20-5-1-4-16-20/h1,4-5,8-10H,2-3,6-7H2,(H,22,23).
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56889059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).