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

C16H21N5OS — CID 165434831

IUPAC2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H21N5OS/c1-11-14(18-7-6-17-11)22-10-12-4-8-21(9-5-12)16-20-19-15(23-16)13-2-3-13/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyJRMHIRKHZAMLFO-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.81
Rot. Bonds5

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

2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 165434831) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID165434831
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H21N5OS/c1-11-14(18-7-6-17-11)22-10-12-4-8-21(9-5-12)16-20-19-15(23-16)13-2-3-13/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyJRMHIRKHZAMLFO-UHFFFAOYSA-N
XLogP2.81
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 165434831) is 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1nccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is JRMHIRKHZAMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-14(18-7-6-17-11)22-10-12-4-8-21(9-5-12)16-20-19-15(23-16)13-2-3-13/h6-7,12-13H,2-5,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 331.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 165434831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).