(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone

C18H15Cl2N3O2S — CID 155501481

IUPAC(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
SMILESNc1nc2cc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)ccc2s1
InChIInChI=1S/C18H15Cl2N3O2S/c19-12-3-1-10(7-13(12)20)15-9-23(5-6-25-15)17(24)11-2-4-16-14(8-11)22-18(21)26-16/h1-4,7-8,15H,5-6,9H2,(H2,21,22)
InChIKeyJMEUKNMJLIIPSW-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.40
Rot. Bonds2

About (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone

(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 155501481) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID155501481
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
SMILESNc1nc2cc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)ccc2s1
InChIInChI=1S/C18H15Cl2N3O2S/c19-12-3-1-10(7-13(12)20)15-9-23(5-6-25-15)17(24)11-2-4-16-14(8-11)22-18(21)26-16/h1-4,7-8,15H,5-6,9H2,(H2,21,22)
InChIKeyJMEUKNMJLIIPSW-UHFFFAOYSA-N
XLogP4.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95556637
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 134080021
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
1-[6-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 154856763
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone (CID 155501481) is (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone is Nc1nc2cc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)ccc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is JMEUKNMJLIIPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-12-3-1-10(7-13(12)20)15-9-23(5-6-25-15)17(24)11-2-4-16-14(8-11)22-18(21)26-16/h1-4,7-8,15H,5-6,9H2,(H2,21,22).
What are the key properties of (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 408.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155501481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).