1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone

C19H18N2O2S — CID 121134792

IUPAC1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3nc4ccccc4s3)CCO2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)16-12-21(10-11-23-16)19(22)18-20-15-4-2-3-5-17(15)24-18/h2-9,16H,10-12H2,1H3
InChIKeyMQGPBVHBCVXXSM-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.82
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone

1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone (PubChem CID 121134792) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
PubChem CID121134792
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3nc4ccccc4s3)CCO2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)16-12-21(10-11-23-16)19(22)18-20-15-4-2-3-5-17(15)24-18/h2-9,16H,10-12H2,1H3
InChIKeyMQGPBVHBCVXXSM-UHFFFAOYSA-N
XLogP3.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone 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-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
CID 35258822
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 55982647
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
CID 75489916
(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 42234827
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 86985839

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone (CID 121134792) is 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone is Cc1ccc(C2CN(C(=O)c3nc4ccccc4s3)CCO2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone?
The InChIKey is MQGPBVHBCVXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-6-8-14(9-7-13)16-12-21(10-11-23-16)19(22)18-20-15-4-2-3-5-17(15)24-18/h2-9,16H,10-12H2,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone?
1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).