N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine

C19H21N3O3S2 — CID 32678454

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O3S2/c1-25-16-10-9-14(20-19-21-15-7-3-4-8-17(15)26-19)13-18(16)27(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,21)
InChIKeyTZPCLQXUDNZJPT-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.22
Rot. Bonds5

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 32678454) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine
PubChem CID32678454
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O3S2/c1-25-16-10-9-14(20-19-21-15-7-3-4-8-17(15)26-19)13-18(16)27(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,21)
InChIKeyTZPCLQXUDNZJPT-UHFFFAOYSA-N
XLogP4.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2634004
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133425429
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 8800412
(E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2596939
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5217515
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4032809
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
2-(2-methoxyphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 3272623
4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine
CID 2988638

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine (CID 32678454) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is TZPCLQXUDNZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-25-16-10-9-14(20-19-21-15-7-3-4-8-17(15)26-19)13-18(16)27(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 403.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 32678454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).