[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

C16H22N6OS — CID 166270136

IUPAC[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyWPMHZFLPXGTBAZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.02
Rot. Bonds4

About [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 166270136) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID166270136
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyWPMHZFLPXGTBAZ-UHFFFAOYSA-N
XLogP2.02
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 166270136) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is CCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1.
What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WPMHZFLPXGTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166270136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).