2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

C22H26N2O2S — CID 19214343

IUPAC2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(C)c2nc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)sc2c1
InChIInChI=1S/C22H26N2O2S/c1-13-11-14(2)19-18(12-13)27-21(23-19)24-20(25)15(3)26-17-9-7-16(8-10-17)22(4,5)6/h7-12,15H,1-6H3,(H,23,24,25)
InChIKeyRKZQLSMMRHXNSX-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.62
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 19214343) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID19214343
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(C)c2nc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)sc2c1
InChIInChI=1S/C22H26N2O2S/c1-13-11-14(2)19-18(12-13)27-21(23-19)24-20(25)15(3)26-17-9-7-16(8-10-17)22(4,5)6/h7-12,15H,1-6H3,(H,23,24,25)
InChIKeyRKZQLSMMRHXNSX-UHFFFAOYSA-N
XLogP5.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide 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

(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 837350
2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 24644803
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
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-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 51968908
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (CID 19214343) is 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is Cc1cc(C)c2nc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)sc2c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is RKZQLSMMRHXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-13-11-14(2)19-18(12-13)27-21(23-19)24-20(25)15(3)26-17-9-7-16(8-10-17)22(4,5)6/h7-12,15H,1-6H3,(H,23,24,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 382.53 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 19214343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).