6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C11H14N4O4S2 — CID 62993454

IUPAC6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCS(=O)(=O)N1CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C11H14N4O4S2/c1-21(18,19)14-4-2-13(3-5-14)9-8(10(16)17)15-6-7-20-11(15)12-9/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyBKBCVKNCSZAYKE-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.18
Rot. Bonds3

About 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 62993454) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID62993454
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCS(=O)(=O)N1CCN(c2nc3sccn3c2C(=O)O)CC1
InChIInChI=1S/C11H14N4O4S2/c1-21(18,19)14-4-2-13(3-5-14)9-8(10(16)17)15-6-7-20-11(15)12-9/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyBKBCVKNCSZAYKE-UHFFFAOYSA-N
XLogP0.18
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765
6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113335844
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 114460458
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 55078781
6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 64780586
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779994

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 62993454) is 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CS(=O)(=O)N1CCN(c2nc3sccn3c2C(=O)O)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is BKBCVKNCSZAYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-21(18,19)14-4-2-13(3-5-14)9-8(10(16)17)15-6-7-20-11(15)12-9/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 62993454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).