1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine

C12H19N3OS — CID 65280022

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
SMILESNC1(COc2nc(C3CC3)ns2)CCCCC1
InChIInChI=1S/C12H19N3OS/c13-12(6-2-1-3-7-12)8-16-11-14-10(15-17-11)9-4-5-9/h9H,1-8,13H2
InChIKeyNGSAOSDJOFPTMF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.46
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 65280022) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
PubChem CID65280022
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
SMILESNC1(COc2nc(C3CC3)ns2)CCCCC1
InChIInChI=1S/C12H19N3OS/c13-12(6-2-1-3-7-12)8-16-11-14-10(15-17-11)9-4-5-9/h9H,1-8,13H2
InChIKeyNGSAOSDJOFPTMF-UHFFFAOYSA-N
XLogP2.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine (CID 65280022) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine is NC1(COc2nc(C3CC3)ns2)CCCCC1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is NGSAOSDJOFPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-12(6-2-1-3-7-12)8-16-11-14-10(15-17-11)9-4-5-9/h9H,1-8,13H2.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 65280022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).