(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide

C17H15ClN2O4S — CID 160971171

IUPAC(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide
SMILESCONC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-10(16(21)20-22-2)23-12-4-6-13(7-5-12)24-17-19-14-8-3-11(18)9-15(14)25-17/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeySYGRMSBYECQFIK-SNVBAGLBSA-N
MW378.84 g/mol
LogP4.19
Rot. Bonds6

About (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide

(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide (PubChem CID 160971171) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide
PubChem CID160971171
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide
SMILESCONC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-10(16(21)20-22-2)23-12-4-6-13(7-5-12)24-17-19-14-8-3-11(18)9-15(14)25-17/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeySYGRMSBYECQFIK-SNVBAGLBSA-N
XLogP4.19
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide 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-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126644816
N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
CID 126644718
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-methylpropanoic acid
CID 126644742
ethyl 2-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 15582785
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
ethyl 3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 57215820
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-3-ethylhexanal
CID 57317228
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]propanethioic S-acid
CID 87233746
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine
CID 69148258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide?
The IUPAC name of (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide (CID 160971171) is (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide.
What is the SMILES notation for (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide?
The canonical SMILES for (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide is CONC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide?
The InChIKey is SYGRMSBYECQFIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-10(16(21)20-22-2)23-12-4-6-13(7-5-12)24-17-19-14-8-3-11(18)9-15(14)25-17/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide?
(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide has a molecular weight of 378.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide is sourced from PubChem (CID 160971171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).