N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

C17H28N4O3S — CID 45216734

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)c2csnn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-23-10-8-20-6-4-14(5-7-20)11-21(12-15-3-2-9-24-15)17(22)16-13-25-19-18-16/h13-15H,2-12H2,1H3
InChIKeyXJBIRSHZPMXNDI-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.52
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 45216734) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
PubChem CID45216734
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)c2csnn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-23-10-8-20-6-4-14(5-7-20)11-21(12-15-3-2-9-24-15)17(22)16-13-25-19-18-16/h13-15H,2-12H2,1H3
InChIKeyXJBIRSHZPMXNDI-UHFFFAOYSA-N
XLogP1.52
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (CID 45216734) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is COCCN1CCC(CN(CC2CCCO2)C(=O)c2csnn2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is XJBIRSHZPMXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-23-10-8-20-6-4-14(5-7-20)11-21(12-15-3-2-9-24-15)17(22)16-13-25-19-18-16/h13-15H,2-12H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 45216734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).