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

C19H16N4S — CID 162688389

IUPAC3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C2CC2)n1
InChIInChI=1S/C19H16N4S/c1-11-7-15(9-16(22-11)13-5-6-13)18-17(23-19(21)24-18)14-4-2-3-12(8-14)10-20/h2-4,7-9,13H,5-6H2,1H3,(H2,21,23)
InChIKeyMFYSDEXJSRKNIU-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.51
Rot. Bonds3

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

3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 162688389) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID162688389
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C2CC2)n1
InChIInChI=1S/C19H16N4S/c1-11-7-15(9-16(22-11)13-5-6-13)18-17(23-19(21)24-18)14-4-2-3-12(8-14)10-20/h2-4,7-9,13H,5-6H2,1H3,(H2,21,23)
InChIKeyMFYSDEXJSRKNIU-UHFFFAOYSA-N
XLogP4.51
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 162688295
3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
CID 22317642
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]-3-hydroxypyrrolidine-1-carboxamide
CID 169060197
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopiperazine-1-carboxamide
CID 162688220
(3R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopiperazine-1-carboxamide
CID 162688235
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 162688237
(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 169002941
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 166959531
(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (CID 162688389) is 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is Cc1cc(-c2sc(N)nc2-c2cccc(C#N)c2)cc(C2CC2)n1.
What is the InChIKey of 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is MFYSDEXJSRKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-11-7-15(9-16(22-11)13-5-6-13)18-17(23-19(21)24-18)14-4-2-3-12(8-14)10-20/h2-4,7-9,13H,5-6H2,1H3,(H2,21,23).
What are the key properties of 3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 332.43 g/mol, XLogP of 4.51, 3 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-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 162688389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).