5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile

C14H14N4S — CID 133484065

IUPAC5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
SMILESCCSCc1cccc(Nc2cnc(C#N)cn2)c1
InChIInChI=1S/C14H14N4S/c1-2-19-10-11-4-3-5-12(6-11)18-14-9-16-13(7-15)8-17-14/h3-6,8-9H,2,10H2,1H3,(H,17,18)
InChIKeyOXFDXPIUVZTXOO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.34
Rot. Bonds5

About 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile

5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile (PubChem CID 133484065) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
PubChem CID133484065
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
SMILESCCSCc1cccc(Nc2cnc(C#N)cn2)c1
InChIInChI=1S/C14H14N4S/c1-2-19-10-11-4-3-5-12(6-11)18-14-9-16-13(7-15)8-17-14/h3-6,8-9H,2,10H2,1H3,(H,17,18)
InChIKeyOXFDXPIUVZTXOO-UHFFFAOYSA-N
XLogP3.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
4-(3-ethylanilino)pyridine-2-carbonitrile
CID 62925653
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
CID 133484054
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
CID 100621011
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile (CID 133484065) is 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile is CCSCc1cccc(Nc2cnc(C#N)cn2)c1.
What is the InChIKey of 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile?
The InChIKey is OXFDXPIUVZTXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-19-10-11-4-3-5-12(6-11)18-14-9-16-13(7-15)8-17-14/h3-6,8-9H,2,10H2,1H3,(H,17,18).
What are the key properties of 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile?
5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).