6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide

C14H18N6OS — CID 133476331

IUPAC6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(c1nccs1)N1CCN(c2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C14H18N6OS/c1-10(14-17-2-7-22-14)19-3-5-20(6-4-19)12-9-16-8-11(18-12)13(15)21/h2,7-10H,3-6H2,1H3,(H2,15,21)
InChIKeyWPUZUFUWGMSEFL-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.92
Rot. Bonds4

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

6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 133476331) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID133476331
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(c1nccs1)N1CCN(c2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C14H18N6OS/c1-10(14-17-2-7-22-14)19-3-5-20(6-4-19)12-9-16-8-11(18-12)13(15)21/h2,7-10H,3-6H2,1H3,(H2,15,21)
InChIKeyWPUZUFUWGMSEFL-UHFFFAOYSA-N
XLogP0.92
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 66456547
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 133476730
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732
2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
2-[1-[4-(3-bromo-5-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476609
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358229
methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 133476331) is 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide is CC(c1nccs1)N1CCN(c2cncc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is WPUZUFUWGMSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10(14-17-2-7-22-14)19-3-5-20(6-4-19)12-9-16-8-11(18-12)13(15)21/h2,7-10H,3-6H2,1H3,(H2,15,21).
What are the key properties of 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133476331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).