2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole

C11H19N3OS — CID 47069102

IUPAC2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CN2CCC(C)CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-15-11-13-12-10(16-11)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3
InChIKeySYILSQHAQDUUAP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds4

About 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole

2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 47069102) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID47069102
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CN2CCC(C)CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-15-11-13-12-10(16-11)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3
InChIKeySYILSQHAQDUUAP-UHFFFAOYSA-N
XLogP2.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole (CID 47069102) is 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole is CCOc1nnc(CN2CCC(C)CC2)s1.
What is the InChIKey of 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is SYILSQHAQDUUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-15-11-13-12-10(16-11)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole?
2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 241.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 47069102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).