N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine

C14H24N2OS — CID 62544746

IUPACN-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCOCCNC1(c2nc(C(C)C)cs2)CCCC1
InChIInChI=1S/C14H24N2OS/c1-11(2)12-10-18-13(16-12)14(6-4-5-7-14)15-8-9-17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyYDYTUHKYYRYZRU-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.27
Rot. Bonds6

About N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine

N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 62544746) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID62544746
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCOCCNC1(c2nc(C(C)C)cs2)CCCC1
InChIInChI=1S/C14H24N2OS/c1-11(2)12-10-18-13(16-12)14(6-4-5-7-14)15-8-9-17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyYDYTUHKYYRYZRU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 62544746) is N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine is COCCNC1(c2nc(C(C)C)cs2)CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is YDYTUHKYYRYZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(2)12-10-18-13(16-12)14(6-4-5-7-14)15-8-9-17-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine?
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 62544746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).