4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide

C18H20N4O3S2 — CID 110216631

IUPAC4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1nc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c2sccn12
InChIInChI=1S/C18H20N4O3S2/c1-12-20-16(18-22(12)9-10-26-18)14-3-2-8-21(11-14)17(23)13-4-6-15(7-5-13)27(19,24)25/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,24,25)
InChIKeyKMHZEMFXZMLZSM-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.37
Rot. Bonds3

About 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide

4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 110216631) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID110216631
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1nc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c2sccn12
InChIInChI=1S/C18H20N4O3S2/c1-12-20-16(18-22(12)9-10-26-18)14-3-2-8-21(11-14)17(23)13-4-6-15(7-5-13)27(19,24)25/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,24,25)
InChIKeyKMHZEMFXZMLZSM-UHFFFAOYSA-N
XLogP2.37
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 92564845
(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92564313
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one
CID 92593496
[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567129
[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 97069118
4-[1-(4-methylsulfonylbenzoyl)piperidin-3-yl]benzoic acid
CID 72934601
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 110216631) is 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide is Cc1nc(C2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c2sccn12.
What is the InChIKey of 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is KMHZEMFXZMLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-12-20-16(18-22(12)9-10-26-18)14-3-2-8-21(11-14)17(23)13-4-6-15(7-5-13)27(19,24)25/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,19,24,25).
What are the key properties of 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 404.52 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 110216631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).