6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile

C17H14N4S — CID 123957892

IUPAC6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(-c2cccnc2)sc1-c1ncc(C#N)cc1C
InChIInChI=1S/C17H14N4S/c1-3-14-16(15-11(2)7-12(8-18)9-20-15)22-17(21-14)13-5-4-6-19-10-13/h4-7,9-10H,3H2,1-2H3
InChIKeyKIXAPWIJYUNLCF-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.01
Rot. Bonds3

About 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile

6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 123957892) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
PubChem CID123957892
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(-c2cccnc2)sc1-c1ncc(C#N)cc1C
InChIInChI=1S/C17H14N4S/c1-3-14-16(15-11(2)7-12(8-18)9-20-15)22-17(21-14)13-5-4-6-19-10-13/h4-7,9-10H,3H2,1-2H3
InChIKeyKIXAPWIJYUNLCF-UHFFFAOYSA-N
XLogP4.01
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 161077475
6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
CID 123186441
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile (CID 123957892) is 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile is CCc1nc(-c2cccnc2)sc1-c1ncc(C#N)cc1C.
What is the InChIKey of 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is KIXAPWIJYUNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-3-14-16(15-11(2)7-12(8-18)9-20-15)22-17(21-14)13-5-4-6-19-10-13/h4-7,9-10H,3H2,1-2H3.
What are the key properties of 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile?
6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 306.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 123957892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).