3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine

C13H23N3OS — CID 116782306

IUPAC3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(OC)C2CCCCC2)ns1
InChIInChI=1S/C13H23N3OS/c1-3-9-14-13-15-12(16-18-13)11(17-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyZEWBMVUIGQGQMN-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.63
Rot. Bonds6

About 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine

3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 116782306) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID116782306
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(OC)C2CCCCC2)ns1
InChIInChI=1S/C13H23N3OS/c1-3-9-14-13-15-12(16-18-13)11(17-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyZEWBMVUIGQGQMN-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine (CID 116782306) is 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C(OC)C2CCCCC2)ns1.
What is the InChIKey of 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZEWBMVUIGQGQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-9-14-13-15-12(16-18-13)11(17-2)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 269.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).