(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide

C18H18N2O2S — CID 7741991

IUPAC(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-11-5-4-6-15(9-11)22-12(2)18(21)20-14-7-8-16-17(10-14)23-13(3)19-16/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyFNIVYDONCZLRCC-LBPRGKRZSA-N
MW326.42 g/mol
LogP4.32
Rot. Bonds4

About (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide

(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 7741991) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
PubChem CID7741991
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-11-5-4-6-15(9-11)22-12(2)18(21)20-14-7-8-16-17(10-14)23-13(3)19-16/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyFNIVYDONCZLRCC-LBPRGKRZSA-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

(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide (CID 7741991) is (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is FNIVYDONCZLRCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-5-4-6-15(9-11)22-12(2)18(21)20-14-7-8-16-17(10-14)23-13(3)19-16/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-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 (2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 7741991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).