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

C12H13N3O4S — CID 56865263

IUPAC4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cn2ccsc2n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H13N3O4S/c16-9(8-7-15-5-6-20-11(15)13-8)14-3-1-12(19,2-4-14)10(17)18/h5-7,19H,1-4H2,(H,17,18)
InChIKeyRNDQCIDBKPZFNJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.45
Rot. Bonds2

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

4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56865263) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
PubChem CID56865263
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cn2ccsc2n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H13N3O4S/c16-9(8-7-15-5-6-20-11(15)13-8)14-3-1-12(19,2-4-14)10(17)18/h5-7,19H,1-4H2,(H,17,18)
InChIKeyRNDQCIDBKPZFNJ-UHFFFAOYSA-N
XLogP0.45
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56889059
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
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
imidazo[2,1-b][1,3]thiazol-6-yl-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135107101
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
(5R)-7-(cyclopropylmethyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126435510
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773
1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56919195
(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
CID 165424702
1-[[(3R)-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95211600
[4-(2-amino-7H-purin-6-yl)-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 138378235

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid (CID 56865263) is 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid is O=C(c1cn2ccsc2n1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RNDQCIDBKPZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-9(8-7-15-5-6-20-11(15)13-8)14-3-1-12(19,2-4-14)10(17)18/h5-7,19H,1-4H2,(H,17,18).
What are the key properties of 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).