N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide

C14H11N3OS — CID 99830867

IUPACN-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)Nc1ccc2sncc2c1
InChIInChI=1S/C14H11N3OS/c18-14(7-10-3-5-15-6-4-10)17-12-1-2-13-11(8-12)9-16-19-13/h1-6,8-9H,7H2,(H,17,18)
InChIKeyRDUMWHQVEAQJCS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide

N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide (PubChem CID 99830867) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
PubChem CID99830867
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)Nc1ccc2sncc2c1
InChIInChI=1S/C14H11N3OS/c18-14(7-10-3-5-15-6-4-10)17-12-1-2-13-11(8-12)9-16-19-13/h1-6,8-9H,7H2,(H,17,18)
InChIKeyRDUMWHQVEAQJCS-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dipyridin-4-ylacetamide
CID 110468100
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
CID 99833360
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
CID 99825276
N-(1,2-benzothiazol-5-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790245
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
CID 99823346
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide (CID 99830867) is N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)Nc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide?
The InChIKey is RDUMWHQVEAQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(7-10-3-5-15-6-4-10)17-12-1-2-13-11(8-12)9-16-19-13/h1-6,8-9H,7H2,(H,17,18).
What are the key properties of N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide?
N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide has a molecular weight of 269.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 99830867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).