(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide

C15H10N4OS — CID 94817456

IUPAC(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
SMILESN#C[C@H](C(=O)Nc1ccncc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10N4OS/c16-9-11(14(20)18-10-5-7-17-8-6-10)15-19-12-3-1-2-4-13(12)21-15/h1-8,11H,(H,17,18,20)/t11-/m1/s1
InChIKeyGBYGKFVYALZNLA-LLVKDONJSA-N
MW294.34 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide

(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide (PubChem CID 94817456) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
PubChem CID94817456
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
SMILESN#C[C@H](C(=O)Nc1ccncc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10N4OS/c16-9-11(14(20)18-10-5-7-17-8-6-10)15-19-12-3-1-2-4-13(12)21-15/h1-8,11H,(H,17,18,20)/t11-/m1/s1
InChIKeyGBYGKFVYALZNLA-LLVKDONJSA-N
XLogP2.94
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-N-phenylacetamide
CID 99578086
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 52504158
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-prop-2-ynylacetamide
CID 100683219
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide
CID 95331033
methyl 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoacetyl]benzoate
CID 75740175
2-(1,3-benzothiazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 15323295
(2R)-2-(1,3-benzothiazol-2-yl)-4-ethylsulfonyl-3-oxobutanenitrile
CID 94199272
2-(1,3-benzothiazol-2-yl)-3-(4-chloro-1,3-thiazol-5-yl)-3-oxopropanenitrile
CID 47079389
2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile
CID 40596091
4-(2-aminophenyl)sulfanyl-2-(1,3-benzothiazol-2-yl)-3-oxobutanenitrile
CID 71732701
2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide
CID 87443913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide (CID 94817456) is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide is N#C[C@H](C(=O)Nc1ccncc1)c1nc2ccccc2s1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide?
The InChIKey is GBYGKFVYALZNLA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-9-11(14(20)18-10-5-7-17-8-6-10)15-19-12-3-1-2-4-13(12)21-15/h1-8,11H,(H,17,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide?
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide has a molecular weight of 294.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide is sourced from PubChem (CID 94817456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).