6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid

C12H13N5O2S — CID 66456547

IUPAC6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H13N5O2S/c18-11(19)9-7-13-8-10(15-9)16-2-4-17(5-3-16)12-14-1-6-20-12/h1,6-8H,2-5H2,(H,18,19)
InChIKeySWCCCNVBLAVWRL-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.96
Rot. Bonds3

About 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid

6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 66456547) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID66456547
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H13N5O2S/c18-11(19)9-7-13-8-10(15-9)16-2-4-17(5-3-16)12-14-1-6-20-12/h1,6-8H,2-5H2,(H,18,19)
InChIKeySWCCCNVBLAVWRL-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6-chloropyrazin-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103186918
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115423373
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 29082664
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 66456547) is 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is SWCCCNVBLAVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-11(19)9-7-13-8-10(15-9)16-2-4-17(5-3-16)12-14-1-6-20-12/h1,6-8H,2-5H2,(H,18,19).
What are the key properties of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid?
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 291.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).