N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide

C17H17N3O2S — CID 91680729

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-3-5-13(6-10)22-9-15(21)19-12-7-11(2)16-14(8-12)23-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyKABXNCDUXYFCPC-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.51
Rot. Bonds4

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 91680729) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
PubChem CID91680729
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-3-5-13(6-10)22-9-15(21)19-12-7-11(2)16-14(8-12)23-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyKABXNCDUXYFCPC-UHFFFAOYSA-N
XLogP3.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
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-propan-2-ylsulfanylacetamide
CID 131920215
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide (CID 91680729) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is KABXNCDUXYFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-4-3-5-13(6-10)22-9-15(21)19-12-7-11(2)16-14(8-12)23-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 91680729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).