2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile

C19H17N3O2S — CID 18707123

IUPAC2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2nc(-c3cc(C#N)ccn3)cs2)cc1OCC
InChIInChI=1S/C19H17N3O2S/c1-3-23-17-6-5-14(10-18(17)24-4-2)19-22-16(12-25-19)15-9-13(11-20)7-8-21-15/h5-10,12H,3-4H2,1-2H3
InChIKeyGHNRJJSVAIGILN-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.54
Rot. Bonds6

About 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile

2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile (PubChem CID 18707123) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
PubChem CID18707123
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2nc(-c3cc(C#N)ccn3)cs2)cc1OCC
InChIInChI=1S/C19H17N3O2S/c1-3-23-17-6-5-14(10-18(17)24-4-2)19-22-16(12-25-19)15-9-13(11-20)7-8-21-15/h5-10,12H,3-4H2,1-2H3
InChIKeyGHNRJJSVAIGILN-UHFFFAOYSA-N
XLogP4.54
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
CID 19041026
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole
CID 19041129
4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 19041101
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001
4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 103597381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile (CID 18707123) is 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile is CCOc1ccc(-c2nc(-c3cc(C#N)ccn3)cs2)cc1OCC.
What is the InChIKey of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile?
The InChIKey is GHNRJJSVAIGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-3-23-17-6-5-14(10-18(17)24-4-2)19-22-16(12-25-19)15-9-13(11-20)7-8-21-15/h5-10,12H,3-4H2,1-2H3.
What are the key properties of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile?
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile has a molecular weight of 351.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 18707123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).