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

C10H7N3OS2 — CID 161077475

IUPAC5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
SMILESCS(=O)c1sc(-c2cccnc2)nc1C#N
InChIInChI=1S/C10H7N3OS2/c1-16(14)10-8(5-11)13-9(15-10)7-3-2-4-12-6-7/h2-4,6H,1H3
InChIKeyCEECKTZVVAIWBF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.81
Rot. Bonds2

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

5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile (PubChem CID 161077475) has the molecular formula C10H7N3OS2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
PubChem CID161077475
Molecular FormulaC10H7N3OS2
Molecular Weight249.32 g/mol
Exact Mass249.00
IUPAC Name5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
SMILESCS(=O)c1sc(-c2cccnc2)nc1C#N
InChIInChI=1S/C10H7N3OS2/c1-16(14)10-8(5-11)13-9(15-10)7-3-2-4-12-6-7/h2-4,6H,1H3
InChIKeyCEECKTZVVAIWBF-UHFFFAOYSA-N
XLogP1.81
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
CID 123409764
5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123930282
4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
CID 123874586
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 82471501
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
CID 123957892

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile (CID 161077475) is 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile is CS(=O)c1sc(-c2cccnc2)nc1C#N.
What is the InChIKey of 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The InChIKey is CEECKTZVVAIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS2/c1-16(14)10-8(5-11)13-9(15-10)7-3-2-4-12-6-7/h2-4,6H,1H3.
What are the key properties of 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 161077475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).