5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine

C11H18N2OS — CID 79773903

IUPAC5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-12-11-13-7-10(15-11)8-14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyMJBXTDYMCSSYCE-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.03
Rot. Bonds5

About 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine

5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79773903) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID79773903
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-12-11-13-7-10(15-11)8-14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyMJBXTDYMCSSYCE-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine (CID 79773903) is 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(COC2CCCC2)s1.
What is the InChIKey of 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is MJBXTDYMCSSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-12-11-13-7-10(15-11)8-14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,12,13).
What are the key properties of 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79773903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).