5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine

C15H26N2OS — CID 79773835

IUPAC5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CCCC(CC)C2)s1
InChIInChI=1S/C15H26N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h10,12-13H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyXLQBGMYYBPONAI-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.45
Rot. Bonds7

About 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine

5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79773835) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79773835
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CCCC(CC)C2)s1
InChIInChI=1S/C15H26N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h10,12-13H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyXLQBGMYYBPONAI-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine (CID 79773835) is 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COC2CCCC(CC)C2)s1.
What is the InChIKey of 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is XLQBGMYYBPONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-8-16-15-17-10-14(19-15)11-18-13-7-5-6-12(4-2)9-13/h10,12-13H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 282.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).