2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one

C18H16N2O3S — CID 16749998

IUPAC2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
SMILESO=C(c1ccccc1-n1sc2ccccc2c1=O)N1CCOCC1
InChIInChI=1S/C18H16N2O3S/c21-17(19-9-11-23-12-10-19)13-5-1-3-7-15(13)20-18(22)14-6-2-4-8-16(14)24-20/h1-8H,9-12H2
InChIKeyUXRFOLLORGHLLH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.52
Rot. Bonds2

About 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one

2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one (PubChem CID 16749998) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
PubChem CID16749998
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
SMILESO=C(c1ccccc1-n1sc2ccccc2c1=O)N1CCOCC1
InChIInChI=1S/C18H16N2O3S/c21-17(19-9-11-23-12-10-19)13-5-1-3-7-15(13)20-18(22)14-6-2-4-8-16(14)24-20/h1-8H,9-12H2
InChIKeyUXRFOLLORGHLLH-UHFFFAOYSA-N
XLogP2.52
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
N,N-dimethyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16750000
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
5-amino-2-(3-oxo-1,2-benzothiazol-2-yl)benzoic acid
CID 81434645
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1099760
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)benzo[h]chromen-2-one
CID 102583180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one (CID 16749998) is 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one is O=C(c1ccccc1-n1sc2ccccc2c1=O)N1CCOCC1.
What is the InChIKey of 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one?
The InChIKey is UXRFOLLORGHLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(19-9-11-23-12-10-19)13-5-1-3-7-15(13)20-18(22)14-6-2-4-8-16(14)24-20/h1-8H,9-12H2.
What are the key properties of 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one?
2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one has a molecular weight of 340.40 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 16749998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).