N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride

C21H24ClN5O3S2 — CID 87944171

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl
InChIInChI=1S/C21H23N5O3S2.ClH/c1-25-13-22-19-16(25)7-9-18-20(19)24-21(30-18)23-15-12-14(6-8-17(15)29-2)31(27,28)26-10-4-3-5-11-26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24);1H
InChIKeyQGIKIJGNVLHJDB-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.53
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride (PubChem CID 87944171) has the molecular formula C21H24ClN5O3S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
PubChem CID87944171
Molecular FormulaC21H24ClN5O3S2
Molecular Weight494.04 g/mol
Exact Mass493.10
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl
InChIInChI=1S/C21H23N5O3S2.ClH/c1-25-13-22-19-16(25)7-9-18-20(19)24-21(30-18)23-15-12-14(6-8-17(15)29-2)31(27,28)26-10-4-3-5-11-26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24);1H
InChIKeyQGIKIJGNVLHJDB-UHFFFAOYSA-N
XLogP4.53
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride with MolForge

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
CID 166348760
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 51127906
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
CID 166184500
N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 87945797
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-ethylbenzenesulfonamide
CID 29099743
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-[(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100656363
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride (CID 87944171) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CCCCC2)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The InChIKey is QGIKIJGNVLHJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2.ClH/c1-25-13-22-19-16(25)7-9-18-20(19)24-21(30-18)23-15-12-14(6-8-17(15)29-2)31(27,28)26-10-4-3-5-11-26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24);1H.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride has a molecular weight of 494.04 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 87944171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).