N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C18H15N3O2S — CID 108790507

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3nc4c(C)cccc4s3)c2c1
InChIInChI=1S/C18H15N3O2S/c1-10-6-7-14-12(8-10)13(21-23-14)9-16(22)19-18-20-17-11(2)4-3-5-15(17)24-18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyHWGVYECNCXFRMX-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.24
Rot. Bonds3

About N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108790507) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108790507
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3nc4c(C)cccc4s3)c2c1
InChIInChI=1S/C18H15N3O2S/c1-10-6-7-14-12(8-10)13(21-23-14)9-16(22)19-18-20-17-11(2)4-3-5-15(17)24-18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyHWGVYECNCXFRMX-UHFFFAOYSA-N
XLogP4.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18203902
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803215
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726790
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108746218

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108790507) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)Nc3nc4c(C)cccc4s3)c2c1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is HWGVYECNCXFRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-6-7-14-12(8-10)13(21-23-14)9-16(22)19-18-20-17-11(2)4-3-5-15(17)24-18/h3-8H,9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).