4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile

C10H7N3S — CID 165447959

IUPAC4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
SMILESCc1nc(C#N)sc1-c1cccnc1
InChIInChI=1S/C10H7N3S/c1-7-10(14-9(5-11)13-7)8-3-2-4-12-6-8/h2-4,6H,1H3
InChIKeyAKECLUVNASVUEU-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.39
Rot. Bonds1

About 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile

4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile (PubChem CID 165447959) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
PubChem CID165447959
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
SMILESCc1nc(C#N)sc1-c1cccnc1
InChIInChI=1S/C10H7N3S/c1-7-10(14-9(5-11)13-7)8-3-2-4-12-6-8/h2-4,6H,1H3
InChIKeyAKECLUVNASVUEU-UHFFFAOYSA-N
XLogP2.39
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 82471501
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
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110665972
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
CID 86767902
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
CID 116886959

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile (CID 165447959) is 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile is Cc1nc(C#N)sc1-c1cccnc1.
What is the InChIKey of 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile?
The InChIKey is AKECLUVNASVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-7-10(14-9(5-11)13-7)8-3-2-4-12-6-8/h2-4,6H,1H3.
What are the key properties of 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile?
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 165447959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).