1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine

C12H14N4S — CID 114080402

IUPAC1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCc1nccnc1-c1csc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N4S/c1-8-10(15-6-5-14-8)9-7-17-11(16-9)12(13)3-2-4-12/h5-7H,2-4,13H2,1H3
InChIKeyRSCVQXJSOFPCJZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine

1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 114080402) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID114080402
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCc1nccnc1-c1csc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N4S/c1-8-10(15-6-5-14-8)9-7-17-11(16-9)12(13)3-2-4-12/h5-7H,2-4,13H2,1H3
InChIKeyRSCVQXJSOFPCJZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 114080402) is 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is Cc1nccnc1-c1csc(C2(N)CCC2)n1.
What is the InChIKey of 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is RSCVQXJSOFPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-10(15-6-5-14-8)9-7-17-11(16-9)12(13)3-2-4-12/h5-7H,2-4,13H2,1H3.
What are the key properties of 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 246.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 114080402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).