N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide

C22H23F2N3O4S — CID 29138221

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C22H23F2N3O4S/c1-29-16-9-14(10-17(13-16)30-2)21(28)27(4-3-26-5-7-31-8-6-26)22-25-20-18(24)11-15(23)12-19(20)32-22/h9-13H,3-8H2,1-2H3
InChIKeyMKALFRKQQYOAOE-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.57
Rot. Bonds7

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 29138221) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID29138221
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C22H23F2N3O4S/c1-29-16-9-14(10-17(13-16)30-2)21(28)27(4-3-26-5-7-31-8-6-26)22-25-20-18(24)11-15(23)12-19(20)32-22/h9-13H,3-8H2,1-2H3
InChIKeyMKALFRKQQYOAOE-UHFFFAOYSA-N
XLogP3.57
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935685
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 29138247
3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137810
3,5-dimethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29278273
5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 44933600
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-pentoxybenzamide
CID 43999271
3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622633
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 18583351
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071477
2-(4-chlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 43997183
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44903419

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 29138221) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MKALFRKQQYOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-29-16-9-14(10-17(13-16)30-2)21(28)27(4-3-26-5-7-31-8-6-26)22-25-20-18(24)11-15(23)12-19(20)32-22/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 463.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 29138221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).