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

C14H24N2OS — CID 79775261

IUPACN-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCCC(CC)C2)s1
InChIInChI=1S/C14H24N2OS/c1-3-11-6-5-7-12(8-11)17-10-13-9-16-14(18-13)15-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyGFIXRSARQYMMPV-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.06
Rot. Bonds6

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

N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine (PubChem CID 79775261) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
PubChem CID79775261
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCCC(CC)C2)s1
InChIInChI=1S/C14H24N2OS/c1-3-11-6-5-7-12(8-11)17-10-13-9-16-14(18-13)15-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyGFIXRSARQYMMPV-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine (CID 79775261) is N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine is CCNc1ncc(COC2CCCC(CC)C2)s1.
What is the InChIKey of N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is GFIXRSARQYMMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-11-6-5-7-12(8-11)17-10-13-9-16-14(18-13)15-4-2/h9,11-12H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).