N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide

C20H22N2O2S — CID 18853997

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)sc2c1
InChIInChI=1S/C20H22N2O2S/c1-12(2)15-6-8-16(9-7-15)24-14(4)19(23)22-20-21-17-10-5-13(3)11-18(17)25-20/h5-12,14H,1-4H3,(H,21,22,23)
InChIKeyOVAVYOBTYUFSDG-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.13
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 18853997) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID18853997
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)sc2c1
InChIInChI=1S/C20H22N2O2S/c1-12(2)15-6-8-16(9-7-15)24-14(4)19(23)22-20-21-17-10-5-13(3)11-18(17)25-20/h5-12,14H,1-4H3,(H,21,22,23)
InChIKeyOVAVYOBTYUFSDG-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 55625107
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)propanamide
CID 19213791
(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-(4-bromophenoxy)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]propanamide
CID 18837981
(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 837350

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide (CID 18853997) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide is Cc1ccc2nc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is OVAVYOBTYUFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12(2)15-6-8-16(9-7-15)24-14(4)19(23)22-20-21-17-10-5-13(3)11-18(17)25-20/h5-12,14H,1-4H3,(H,21,22,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 354.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 18853997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).