5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole

C13H16N4S — CID 73439960

IUPAC5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESc1cnc(-c2cncs2)c(CC2CCNCC2)n1
InChIInChI=1S/C13H16N4S/c1-3-14-4-2-10(1)7-11-13(17-6-5-16-11)12-8-15-9-18-12/h5-6,8-10,14H,1-4,7H2
InChIKeyHZYGKEBHBRMHRG-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.14
Rot. Bonds3

About 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole

5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole (PubChem CID 73439960) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole
PubChem CID73439960
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESc1cnc(-c2cncs2)c(CC2CCNCC2)n1
InChIInChI=1S/C13H16N4S/c1-3-14-4-2-10(1)7-11-13(17-6-5-16-11)12-8-15-9-18-12/h5-6,8-10,14H,1-4,7H2
InChIKeyHZYGKEBHBRMHRG-UHFFFAOYSA-N
XLogP2.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole (CID 73439960) is 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole is c1cnc(-c2cncs2)c(CC2CCNCC2)n1.
What is the InChIKey of 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The InChIKey is HZYGKEBHBRMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-14-4-2-10(1)7-11-13(17-6-5-16-11)12-8-15-9-18-12/h5-6,8-10,14H,1-4,7H2.
What are the key properties of 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 73439960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).