(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide

C18H18N2O2S — CID 837350

IUPAC(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11-7-9-14(10-8-11)22-13(3)17(21)20-18-19-16-12(2)5-4-6-15(16)23-18/h4-10,13H,1-3H3,(H,19,20,21)/t13-/m1/s1
InChIKeyZJBXNJDGXJVRAV-CYBMUJFWSA-N
MW326.42 g/mol
LogP4.32
Rot. Bonds4

About (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide

(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 837350) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
PubChem CID837350
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11-7-9-14(10-8-11)22-13(3)17(21)20-18-19-16-12(2)5-4-6-15(16)23-18/h4-10,13H,1-3H3,(H,19,20,21)/t13-/m1/s1
InChIKeyZJBXNJDGXJVRAV-CYBMUJFWSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 19214343
4-methyl-N-[3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 76879382
(2S)-2-amino-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119266077
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19220108
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 18853997
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
3,5-dimethoxy-N-[(2S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2093956
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide (CID 837350) is (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is ZJBXNJDGXJVRAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-7-9-14(10-8-11)22-13(3)17(21)20-18-19-16-12(2)5-4-6-15(16)23-18/h4-10,13H,1-3H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide?
(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 326.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 837350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).