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

C10H9N5S — CID 62672892

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
SMILESCc1nc(CNc2nccnc2C#N)cs1
InChIInChI=1S/C10H9N5S/c1-7-15-8(6-16-7)5-14-10-9(4-11)12-2-3-13-10/h2-3,6H,5H2,1H3,(H,13,14)
InChIKeyJDZLPIFTZFEEED-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.73
Rot. Bonds3

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

3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 62672892) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID62672892
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
SMILESCc1nc(CNc2nccnc2C#N)cs1
InChIInChI=1S/C10H9N5S/c1-7-15-8(6-16-7)5-14-10-9(4-11)12-2-3-13-10/h2-3,6H,5H2,1H3,(H,13,14)
InChIKeyJDZLPIFTZFEEED-UHFFFAOYSA-N
XLogP1.73
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 104577496
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
CID 64900052
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 107106650
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile (CID 62672892) is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile is Cc1nc(CNc2nccnc2C#N)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is JDZLPIFTZFEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-7-15-8(6-16-7)5-14-10-9(4-11)12-2-3-13-10/h2-3,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile?
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).