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

C17H16N2O2S — CID 2090688

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-3-5-14(8-11)21-10-17(20)19-13-6-7-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHLOPKTPDNWPIOU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.93
Rot. Bonds4

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

N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 2090688) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
PubChem CID2090688
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-3-5-14(8-11)21-10-17(20)19-13-6-7-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHLOPKTPDNWPIOU-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide (CID 2090688) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is HLOPKTPDNWPIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-4-3-5-14(8-11)21-10-17(20)19-13-6-7-15-16(9-13)22-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 2090688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).