5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile

C9H5N3OS — CID 106922375

IUPAC5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2ncco2)cn1
InChIInChI=1S/C9H5N3OS/c10-5-7-1-2-8(6-12-7)14-9-11-3-4-13-9/h1-4,6H
InChIKeyWAPCMTGKRPJDMP-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.09
Rot. Bonds2

About 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile

5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile (PubChem CID 106922375) has the molecular formula C9H5N3OS and a molecular weight of 203.23 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
PubChem CID106922375
Molecular FormulaC9H5N3OS
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Name5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2ncco2)cn1
InChIInChI=1S/C9H5N3OS/c10-5-7-1-2-8(6-12-7)14-9-11-3-4-13-9/h1-4,6H
InChIKeyWAPCMTGKRPJDMP-UHFFFAOYSA-N
XLogP2.09
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921446
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
CID 115489987
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 115489944
4-[(6-cyano-3-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 113321077
5-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carbonitrile
CID 115489993
5-(3,4-difluorophenyl)sulfanylpyridine-2-carbonitrile
CID 115489947
N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106926421
5-propan-2-ylsulfanylpyridine-2-carbonitrile
CID 115489961
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
CID 115489973

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile (CID 106922375) is 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile is N#Cc1ccc(Sc2ncco2)cn1.
What is the InChIKey of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile?
The InChIKey is WAPCMTGKRPJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS/c10-5-7-1-2-8(6-12-7)14-9-11-3-4-13-9/h1-4,6H.
What are the key properties of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile?
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile has a molecular weight of 203.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile is sourced from PubChem (CID 106922375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).