2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole

C16H21N5OS — CID 163351089

IUPAC2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-9-17-11(2)14(18-10)22-13-5-7-21(8-6-13)16-20-19-15(23-16)12-3-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyRBRQWIWAPHYPOC-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.87
Rot. Bonds4

About 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 163351089) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
PubChem CID163351089
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-9-17-11(2)14(18-10)22-13-5-7-21(8-6-13)16-20-19-15(23-16)12-3-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyRBRQWIWAPHYPOC-UHFFFAOYSA-N
XLogP2.87
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.87
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-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (CID 163351089) is 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is Cc1cnc(C)c(OC2CCN(c3nnc(C4CC4)s3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is RBRQWIWAPHYPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-9-17-11(2)14(18-10)22-13-5-7-21(8-6-13)16-20-19-15(23-16)12-3-4-12/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 331.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 163351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).