2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide

C15H13N3O2S — CID 31745788

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
SMILESO=C(COCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-11-4-3-7-16-8-11)9-20-10-15-18-12-5-1-2-6-13(12)21-15/h1-8H,9-10H2,(H,17,19)
InChIKeyZAQRCRBQCGHGFV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.85
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide (PubChem CID 31745788) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
PubChem CID31745788
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
SMILESO=C(COCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-11-4-3-7-16-8-11)9-20-10-15-18-12-5-1-2-6-13(12)21-15/h1-8H,9-10H2,(H,17,19)
InChIKeyZAQRCRBQCGHGFV-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261212
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-sulfamoylphenyl)acetamide
CID 9035089
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7594237
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 39969285
1,3-benzothiazol-2-ylmethyl pyridine-3-carboxylate
CID 9413481
N-[3-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46467466
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166336255
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
[2-(3-cyanoanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8518468
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24648096

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide (CID 31745788) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide is O=C(COCc1nc2ccccc2s1)Nc1cccnc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide?
The InChIKey is ZAQRCRBQCGHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(17-11-4-3-7-16-8-11)9-20-10-15-18-12-5-1-2-6-13(12)21-15/h1-8H,9-10H2,(H,17,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 31745788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).