N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide

C20H23N3O3S — CID 91680807

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(N)nc12
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)12-5-7-14(8-6-12)26-11-17(24)22-13-9-15(25-4)18-16(10-13)27-19(21)23-18/h5-10H,11H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyZLYWKTAEOKIMNT-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.20
Rot. Bonds5

About N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 91680807) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID91680807
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(N)nc12
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)12-5-7-14(8-6-12)26-11-17(24)22-13-9-15(25-4)18-16(10-13)27-19(21)23-18/h5-10H,11H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyZLYWKTAEOKIMNT-UHFFFAOYSA-N
XLogP4.20
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680834
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
5-[[2-(4-tert-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7317544

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide (CID 91680807) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide is COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is ZLYWKTAEOKIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-20(2,3)12-5-7-14(8-6-12)26-11-17(24)22-13-9-15(25-4)18-16(10-13)27-19(21)23-18/h5-10H,11H2,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 385.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 91680807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).