[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine

C12H16N6S — CID 55104352

IUPAC[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6S/c13-9-10-11(15-2-1-14-10)17-4-6-18(7-5-17)12-16-3-8-19-12/h1-3,8H,4-7,9,13H2
InChIKeyUTVKPSAWZAHEJN-UHFFFAOYSA-N
MW276.37 g/mol
LogP0.72
Rot. Bonds3

About [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine

[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 55104352) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine
PubChem CID55104352
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6S/c13-9-10-11(15-2-1-14-10)17-4-6-18(7-5-17)12-16-3-8-19-12/h1-3,8H,4-7,9,13H2
InChIKeyUTVKPSAWZAHEJN-UHFFFAOYSA-N
XLogP0.72
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methyl-2-[2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53620824
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-2-pyrazinamine
CID 39796621
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 91651070
2-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-5-methyl-1,3-thiazole
CID 124296068
3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine
CID 164631293
[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62968414
2-(4-Pyrazin-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133522460
3-Fluoro-n-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 164657187
N'-[(E)-N'-(4-methyl-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboximidamide
CID 171715777
5-(1,3-Thiazol-2-yl)-2-pyrazinamine
CID 59438197
3-(1,3-Thiazol-2-yl)pyrazin-2-amine
CID 68809343
9-(1,3-Thiazol-5-yl)-3,6-dihydropurin-2-amine
CID 69978342

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine (CID 55104352) is [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine is NCc1nccnc1N1CCN(c2nccs2)CC1.
What is the InChIKey of [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is UTVKPSAWZAHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c13-9-10-11(15-2-1-14-10)17-4-6-18(7-5-17)12-16-3-8-19-12/h1-3,8H,4-7,9,13H2.
What are the key properties of [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine?
[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 276.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 55104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).