2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile

C20H19N3O2S — CID 19041026

IUPAC2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2nc(-c3cccc(CC#N)n3)cs2)cc1OCC
InChIInChI=1S/C20H19N3O2S/c1-3-24-18-9-8-14(12-19(18)25-4-2)20-23-17(13-26-20)16-7-5-6-15(22-16)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyHODWUQZMCSWKMZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.74
Rot. Bonds7

About 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile

2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile (PubChem CID 19041026) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
PubChem CID19041026
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
SMILESCCOc1ccc(-c2nc(-c3cccc(CC#N)n3)cs2)cc1OCC
InChIInChI=1S/C20H19N3O2S/c1-3-24-18-9-8-14(12-19(18)25-4-2)20-23-17(13-26-20)16-7-5-6-15(22-16)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyHODWUQZMCSWKMZ-UHFFFAOYSA-N
XLogP4.74
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole
CID 19041129
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 19041101
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705
2-[6-(4-methylphenyl)-2-pyridinyl]acetonitrile
CID 117001971

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile (CID 19041026) is 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile is CCOc1ccc(-c2nc(-c3cccc(CC#N)n3)cs2)cc1OCC.
What is the InChIKey of 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile?
The InChIKey is HODWUQZMCSWKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-24-18-9-8-14(12-19(18)25-4-2)20-23-17(13-26-20)16-7-5-6-15(22-16)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile?
2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile has a molecular weight of 365.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 19041026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).