N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine

C12H16N4S — CID 79820460

IUPACN-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1Cc1nccs1
InChIInChI=1S/C12H16N4S/c1-4-13-12-10(7-11-14-5-6-17-11)15-8(2)9(3)16-12/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyMYAJTSXIHXBGJI-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine

N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine (PubChem CID 79820460) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
PubChem CID79820460
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
SMILESCCNc1nc(C)c(C)nc1Cc1nccs1
InChIInChI=1S/C12H16N4S/c1-4-13-12-10(7-11-14-5-6-17-11)15-8(2)9(3)16-12/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyMYAJTSXIHXBGJI-UHFFFAOYSA-N
XLogP2.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine (CID 79820460) is N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine is CCNc1nc(C)c(C)nc1Cc1nccs1.
What is the InChIKey of N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The InChIKey is MYAJTSXIHXBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-4-13-12-10(7-11-14-5-6-17-11)15-8(2)9(3)16-12/h5-6H,4,7H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 79820460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).