N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C26H31N3O3S — CID 55623834

IUPACN-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)N(CC3CCCO3)c3nc4ccccc4s3)cc2)CC(C)O1
InChIInChI=1S/C26H31N3O3S/c1-18-14-28(15-19(2)32-18)16-20-9-11-21(12-10-20)25(30)29(17-22-6-5-13-31-22)26-27-23-7-3-4-8-24(23)33-26/h3-4,7-12,18-19,22H,5-6,13-17H2,1-2H3
InChIKeyFJLYFVWPWKTOSG-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.73
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55623834) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55623834
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)N(CC3CCCO3)c3nc4ccccc4s3)cc2)CC(C)O1
InChIInChI=1S/C26H31N3O3S/c1-18-14-28(15-19(2)32-18)16-20-9-11-21(12-10-20)25(30)29(17-22-6-5-13-31-22)26-27-23-7-3-4-8-24(23)33-26/h3-4,7-12,18-19,22H,5-6,13-17H2,1-2H3
InChIKeyFJLYFVWPWKTOSG-UHFFFAOYSA-N
XLogP4.73
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-6-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 31111341
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7830890
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
N-(1,3-benzothiazol-2-yl)-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8780893
N-(1,3-benzothiazol-2-yl)-3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 26116057
N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(oxolan-2-ylmethyl)benzotriazole-5-carboxamide
CID 42896285
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144
N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47061565
N-(1,3-benzothiazol-2-yl)-5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 35770337
(3S)-N-(1,3-benzothiazol-2-yl)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 52895344
N-(1,3-benzothiazol-2-yl)-3-cyano-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8780852

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 55623834) is N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is CC1CN(Cc2ccc(C(=O)N(CC3CCCO3)c3nc4ccccc4s3)cc2)CC(C)O1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FJLYFVWPWKTOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-18-14-28(15-19(2)32-18)16-20-9-11-21(12-10-20)25(30)29(17-22-6-5-13-31-22)26-27-23-7-3-4-8-24(23)33-26/h3-4,7-12,18-19,22H,5-6,13-17H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 465.62 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55623834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).