2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

C14H19N5OS — CID 165434570

IUPAC2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(COc3nccnc3C)CC2)s1
InChIInChI=1S/C14H19N5OS/c1-10-13(16-6-5-15-10)20-9-12-3-7-19(8-4-12)14-18-17-11(2)21-14/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyAIPXUKQLSQYWIO-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 165434570) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID165434570
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(COc3nccnc3C)CC2)s1
InChIInChI=1S/C14H19N5OS/c1-10-13(16-6-5-15-10)20-9-12-3-7-19(8-4-12)14-18-17-11(2)21-14/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyAIPXUKQLSQYWIO-UHFFFAOYSA-N
XLogP2.24
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 165434570) is 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCC(COc3nccnc3C)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is AIPXUKQLSQYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-13(16-6-5-15-10)20-9-12-3-7-19(8-4-12)14-18-17-11(2)21-14/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 305.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 165434570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).