N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

C12H20N2S — CID 116539384

IUPACN-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-3-14-10-4-5-12(2,6-10)7-11-8-13-9-15-11/h8-10,14H,3-7H2,1-2H3
InChIKeyIXFLHJMSCRYGFI-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (PubChem CID 116539384) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
PubChem CID116539384
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-3-14-10-4-5-12(2,6-10)7-11-8-13-9-15-11/h8-10,14H,3-7H2,1-2H3
InChIKeyIXFLHJMSCRYGFI-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732727
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
CID 106273067
N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 116539278
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534393
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642173
1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 112642072
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (CID 116539384) is N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is CCNC1CCC(C)(Cc2cncs2)C1.
What is the InChIKey of N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is IXFLHJMSCRYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-14-10-4-5-12(2,6-10)7-11-8-13-9-15-11/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 116539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).