methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate

C20H19N3O4S — CID 46261528

IUPACmethyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H19N3O4S/c1-26-19(25)14-4-2-3-5-15(14)21-18(24)13-6-7-16-17(12-13)28-20(22-16)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyPOIPRPIOLJEWNZ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.17
Rot. Bonds4

About methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate

methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate (PubChem CID 46261528) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
PubChem CID46261528
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Namemethyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H19N3O4S/c1-26-19(25)14-4-2-3-5-15(14)21-18(24)13-6-7-16-17(12-13)28-20(22-16)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyPOIPRPIOLJEWNZ-UHFFFAOYSA-N
XLogP3.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261537
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
methyl 2-[[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90611521
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886710
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate (CID 46261528) is methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate?
The InChIKey is POIPRPIOLJEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-19(25)14-4-2-3-5-15(14)21-18(24)13-6-7-16-17(12-13)28-20(22-16)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate?
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate has a molecular weight of 397.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate is sourced from PubChem (CID 46261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).