(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide

C19H19N5OS — CID 52504158

IUPAC(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1
InChIInChI=1S/C19H19N5OS/c1-3-24(4-2)17-10-9-13(12-21-17)22-18(25)14(11-20)19-23-15-7-5-6-8-16(15)26-19/h5-10,12,14H,3-4H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyPYUPNTWIJJPTFE-CQSZACIVSA-N
MW365.46 g/mol
LogP3.78
Rot. Bonds6

About (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide

(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide (PubChem CID 52504158) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide
PubChem CID52504158
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1
InChIInChI=1S/C19H19N5OS/c1-3-24(4-2)17-10-9-13(12-21-17)22-18(25)14(11-20)19-23-15-7-5-6-8-16(15)26-19/h5-10,12,14H,3-4H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyPYUPNTWIJJPTFE-CQSZACIVSA-N
XLogP3.78
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
CID 94817456
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-prop-2-ynylacetamide
CID 100683219
(2R)-2-(1,3-benzothiazol-2-yl)-4-ethylsulfonyl-3-oxobutanenitrile
CID 94199272
(2S)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-N-phenylacetamide
CID 99578086
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
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile
CID 40596091
2-(1,3-benzothiazol-2-yl)-3-(4-chloro-1,3-thiazol-5-yl)-3-oxopropanenitrile
CID 47079389
(2R)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxopropanenitrile
CID 2335297
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide
CID 95331033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide (CID 52504158) is (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide is CCN(CC)c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide?
The InChIKey is PYUPNTWIJJPTFE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-3-24(4-2)17-10-9-13(12-21-17)22-18(25)14(11-20)19-23-15-7-5-6-8-16(15)26-19/h5-10,12,14H,3-4H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide?
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-[6-(diethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 52504158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).