N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

C23H25N3O3S2 — CID 41210408

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C23H25N3O3S2/c27-22(18-5-1-2-6-20(18)30-15-17-4-3-11-29-17)24-16-7-8-19-21(14-16)31-23(25-19)26-9-12-28-13-10-26/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,24,27)/t17-/m1/s1
InChIKeyMHVNBMDBAQCAII-QGZVFWFLSA-N
MW455.61 g/mol
LogP4.66
Rot. Bonds6

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (PubChem CID 41210408) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
PubChem CID41210408
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C23H25N3O3S2/c27-22(18-5-1-2-6-20(18)30-15-17-4-3-11-29-17)24-16-7-8-19-21(14-16)31-23(25-19)26-9-12-28-13-10-26/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,24,27)/t17-/m1/s1
InChIKeyMHVNBMDBAQCAII-QGZVFWFLSA-N
XLogP4.66
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide with MolForge

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 55432876
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9291506
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (CID 41210408) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1SC[C@H]1CCCO1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The InChIKey is MHVNBMDBAQCAII-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c27-22(18-5-1-2-6-20(18)30-15-17-4-3-11-29-17)24-16-7-8-19-21(14-16)31-23(25-19)26-9-12-28-13-10-26/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,24,27)/t17-/m1/s1.
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide has a molecular weight of 455.61 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is sourced from PubChem (CID 41210408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).