N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C18H20N4O3S2 — CID 9023745

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2nc3ccccc3s2)nc1)N1CCOCC1
InChIInChI=1S/C18H20N4O3S2/c23-27(24,22-9-11-25-12-10-22)14-5-6-17(20-13-14)19-8-7-18-21-15-3-1-2-4-16(15)26-18/h1-6,13H,7-12H2,(H,19,20)
InChIKeyVCZDGCAKKYBEOD-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9023745) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9023745
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCc2nc3ccccc3s2)nc1)N1CCOCC1
InChIInChI=1S/C18H20N4O3S2/c23-27(24,22-9-11-25-12-10-22)14-5-6-17(20-13-14)19-8-7-18-21-15-3-1-2-4-16(15)26-18/h1-6,13H,7-12H2,(H,19,20)
InChIKeyVCZDGCAKKYBEOD-UHFFFAOYSA-N
XLogP2.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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 ≤ 107

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9023744
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9023748
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2087430
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9023745) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCCc2nc3ccccc3s2)nc1)N1CCOCC1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is VCZDGCAKKYBEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c23-27(24,22-9-11-25-12-10-22)14-5-6-17(20-13-14)19-8-7-18-21-15-3-1-2-4-16(15)26-18/h1-6,13H,7-12H2,(H,19,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 404.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9023745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).