6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine

C15H18N6S — CID 133308659

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1csc(CN(C)c2cncc(-n3nc(C)cc3C)n2)n1
InChIInChI=1S/C15H18N6S/c1-10-5-12(3)21(19-10)14-7-16-6-13(18-14)20(4)8-15-17-11(2)9-22-15/h5-7,9H,8H2,1-4H3
InChIKeyRRGBGIVMRRSRJO-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.68
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine (PubChem CID 133308659) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
PubChem CID133308659
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1csc(CN(C)c2cncc(-n3nc(C)cc3C)n2)n1
InChIInChI=1S/C15H18N6S/c1-10-5-12(3)21(19-10)14-7-16-6-13(18-14)20(4)8-15-17-11(2)9-22-15/h5-7,9H,8H2,1-4H3
InChIKeyRRGBGIVMRRSRJO-UHFFFAOYSA-N
XLogP2.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine (CID 133308659) is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine is Cc1csc(CN(C)c2cncc(-n3nc(C)cc3C)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is RRGBGIVMRRSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-10-5-12(3)21(19-10)14-7-16-6-13(18-14)20(4)8-15-17-11(2)9-22-15/h5-7,9H,8H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 314.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133308659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).