3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile

C17H14N4S — CID 162688295

IUPAC3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C17H14N4S/c1-10-6-14(7-11(2)20-10)16-15(21-17(19)22-16)13-5-3-4-12(8-13)9-18/h3-8H,1-2H3,(H2,19,21)
InChIKeyFRUDIPNMCYXOMB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.94
Rot. Bonds2

About 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile

3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 162688295) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID162688295
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C17H14N4S/c1-10-6-14(7-11(2)20-10)16-15(21-17(19)22-16)13-5-3-4-12(8-13)9-18/h3-8H,1-2H3,(H2,19,21)
InChIKeyFRUDIPNMCYXOMB-UHFFFAOYSA-N
XLogP3.94
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 162688389
3-[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
CID 162688128
3-[2-amino-5-(6-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]benzonitrile
CID 87622310
CID 174113155
CID 174113155
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 162688237
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-sulfamoylpiperazine-1-carboxamide
CID 162688189
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazine-4-carboxamide
CID 175453778
(3aS,6aR)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 162688125
3-[5-(2,6-dimethyl-4-pyridinyl)-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-4-yl]benzonitrile
CID 172750449
(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 169002941
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1-imino-1-oxo-1,4-thiazine-4-carboxamide
CID 175453758
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 169060197

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (CID 162688295) is 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is Cc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is FRUDIPNMCYXOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-10-6-14(7-11(2)20-10)16-15(21-17(19)22-16)13-5-3-4-12(8-13)9-18/h3-8H,1-2H3,(H2,19,21).
What are the key properties of 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 306.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 162688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).