N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine

C20H23N3OS — CID 60506241

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(C(CNc2nc3ccccc3s2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3OS/c1-15-6-8-16(9-7-15)18(23-10-12-24-13-11-23)14-21-20-22-17-4-2-3-5-19(17)25-20/h2-9,18H,10-14H2,1H3,(H,21,22)
InChIKeyHOBHZRZXUGKKOH-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine (PubChem CID 60506241) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
PubChem CID60506241
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(C(CNc2nc3ccccc3s2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3OS/c1-15-6-8-16(9-7-15)18(23-10-12-24-13-11-23)14-21-20-22-17-4-2-3-5-19(17)25-20/h2-9,18H,10-14H2,1H3,(H,21,22)
InChIKeyHOBHZRZXUGKKOH-UHFFFAOYSA-N
XLogP4.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzothiazol-2-amine
CID 60592256
3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 76857028
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506213
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97280743
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 87028622
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
CID 71883513
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine (CID 60506241) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine is Cc1ccc(C(CNc2nc3ccccc3s2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine?
The InChIKey is HOBHZRZXUGKKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-6-8-16(9-7-15)18(23-10-12-24-13-11-23)14-21-20-22-17-4-2-3-5-19(17)25-20/h2-9,18H,10-14H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine has a molecular weight of 353.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 60506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).