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

C18H18N2O3S — CID 19203932

IUPAC2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-11-7-8-15-16(9-11)24-18(19-15)20-17(21)12(2)23-14-6-4-5-13(10-14)22-3/h4-10,12H,1-3H3,(H,19,20,21)
InChIKeyIGEGCMKNCYPXLJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.02
Rot. Bonds5

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

2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 19203932) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID19203932
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-11-7-8-15-16(9-11)24-18(19-15)20-17(21)12(2)23-14-6-4-5-13(10-14)22-3/h4-10,12H,1-3H3,(H,19,20,21)
InChIKeyIGEGCMKNCYPXLJ-UHFFFAOYSA-N
XLogP4.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 18853997
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3584827
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
(2R)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138821
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138822
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 2932306

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 19203932) is 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is COc1cccc(OC(C)C(=O)Nc2nc3ccc(C)cc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is IGEGCMKNCYPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-7-8-15-16(9-11)24-18(19-15)20-17(21)12(2)23-14-6-4-5-13(10-14)22-3/h4-10,12H,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 19203932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).