N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C18H18N2O2S — CID 8719026

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11-4-9-15-17(12(11)2)20-18(23-15)19-16(21)10-13-5-7-14(22-3)8-6-13/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyORCZHDIMNQDGJA-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.10
Rot. Bonds4

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 8719026) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID8719026
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11-4-9-15-17(12(11)2)20-18(23-15)19-16(21)10-13-5-7-14(22-3)8-6-13/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyORCZHDIMNQDGJA-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35521821
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 19210112
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080700
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 8719026) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ORCZHDIMNQDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-4-9-15-17(12(11)2)20-18(23-15)19-16(21)10-13-5-7-14(22-3)8-6-13/h4-9H,10H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8719026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).