N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C18H15N3O3S — CID 108803215

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3noc4ccc(C)cc34)sc2c1
InChIInChI=1S/C18H15N3O3S/c1-10-3-6-15-12(7-10)14(21-24-15)9-17(22)20-18-19-13-5-4-11(23-2)8-16(13)25-18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyKRNLHZFXOWRFGZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.94
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108803215) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108803215
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3noc4ccc(C)cc34)sc2c1
InChIInChI=1S/C18H15N3O3S/c1-10-3-6-15-12(7-10)14(21-24-15)9-17(22)20-18-19-13-5-4-11(23-2)8-16(13)25-18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyKRNLHZFXOWRFGZ-UHFFFAOYSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790507
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108739041
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 35533618
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108803215) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is COc1ccc2nc(NC(=O)Cc3noc4ccc(C)cc34)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is KRNLHZFXOWRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-10-3-6-15-12(7-10)14(21-24-15)9-17(22)20-18-19-13-5-4-11(23-2)8-16(13)25-18/h3-8H,9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108803215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).