3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

C17H30N4OS — CID 133382254

IUPAC3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C17H30N4OS/c1-22-13-8-15-19-16(23-20-15)18-14-17(9-4-2-5-10-17)21-11-6-3-7-12-21/h2-14H2,1H3,(H,18,19,20)
InChIKeyYJWJZCLEZCMIDK-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.33
Rot. Bonds7

About 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133382254) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133382254
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C17H30N4OS/c1-22-13-8-15-19-16(23-20-15)18-14-17(9-4-2-5-10-17)21-11-6-3-7-12-21/h2-14H2,1H3,(H,18,19,20)
InChIKeyYJWJZCLEZCMIDK-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (CID 133382254) is 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCC2(N3CCCCC3)CCCCC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YJWJZCLEZCMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-22-13-8-15-19-16(23-20-15)18-14-17(9-4-2-5-10-17)21-11-6-3-7-12-21/h2-14H2,1H3,(H,18,19,20).
What are the key properties of 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 338.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133382254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).