3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile

C15H11N5S — CID 133284985

IUPAC3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
SMILESCc1csc(-c2ccc(Nc3nccnc3C#N)cc2)n1
InChIInChI=1S/C15H11N5S/c1-10-9-21-15(19-10)11-2-4-12(5-3-11)20-14-13(8-16)17-6-7-18-14/h2-7,9H,1H3,(H,18,20)
InChIKeyFEJSJUIYWMDTIC-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.52
Rot. Bonds3

About 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile

3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile (PubChem CID 133284985) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
PubChem CID133284985
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
SMILESCc1csc(-c2ccc(Nc3nccnc3C#N)cc2)n1
InChIInChI=1S/C15H11N5S/c1-10-9-21-15(19-10)11-2-4-12(5-3-11)20-14-13(8-16)17-6-7-18-14/h2-7,9H,1H3,(H,18,20)
InChIKeyFEJSJUIYWMDTIC-UHFFFAOYSA-N
XLogP3.52
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
CID 66356465
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
CID 133283837
methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
CID 133284152
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663
N-[6-(4-methyl-1,3-thiazol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371837
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
CID 62684183

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile (CID 133284985) is 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile is Cc1csc(-c2ccc(Nc3nccnc3C#N)cc2)n1.
What is the InChIKey of 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile?
The InChIKey is FEJSJUIYWMDTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-10-9-21-15(19-10)11-2-4-12(5-3-11)20-14-13(8-16)17-6-7-18-14/h2-7,9H,1H3,(H,18,20).
What are the key properties of 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile?
3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile has a molecular weight of 293.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).