N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

C20H22N3O2S+ — CID 9046668

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2s1
InChIInChI=1S/C20H21N3O2S/c1-14-21-18-7-6-17(12-19(18)26-14)22-20(24)16-4-2-15(3-5-16)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)/p+1
InChIKeyJIIFQQXVVXAICE-UHFFFAOYSA-O
MW368.48 g/mol
LogP2.27
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 9046668) has the molecular formula C20H22N3O2S+ and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID9046668
Molecular FormulaC20H22N3O2S+
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2s1
InChIInChI=1S/C20H21N3O2S/c1-14-21-18-7-6-17(12-19(18)26-14)22-20(24)16-4-2-15(3-5-16)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)/p+1
InChIKeyJIIFQQXVVXAICE-UHFFFAOYSA-O
XLogP2.27
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide 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

N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
4-(1,3-dithiolan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4822322
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
4-tert-butyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 1121336

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 9046668) is N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is JIIFQQXVVXAICE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O2S/c1-14-21-18-7-6-17(12-19(18)26-14)22-20(24)16-4-2-15(3-5-16)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)/p+1.
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 9046668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).