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

C17H22N6S — CID 133285009

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
SMILESCCc1nc(CCNc2cncc(-n3nc(C)cc3C)n2)sc1C
InChIInChI=1S/C17H22N6S/c1-5-14-13(4)24-17(20-14)6-7-19-15-9-18-10-16(21-15)23-12(3)8-11(2)22-23/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeySESADGCNSPDLOY-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.26
Rot. Bonds6

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

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine (PubChem CID 133285009) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
PubChem CID133285009
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
SMILESCCc1nc(CCNc2cncc(-n3nc(C)cc3C)n2)sc1C
InChIInChI=1S/C17H22N6S/c1-5-14-13(4)24-17(20-14)6-7-19-15-9-18-10-16(21-15)23-12(3)8-11(2)22-23/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeySESADGCNSPDLOY-UHFFFAOYSA-N
XLogP3.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine (CID 133285009) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine is CCc1nc(CCNc2cncc(-n3nc(C)cc3C)n2)sc1C.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
The InChIKey is SESADGCNSPDLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-5-14-13(4)24-17(20-14)6-7-19-15-9-18-10-16(21-15)23-12(3)8-11(2)22-23/h8-10H,5-7H2,1-4H3,(H,19,21).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine has a molecular weight of 342.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).