N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine

C12H20N2S — CID 112645572

IUPACN-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1cncs1
InChIInChI=1S/C12H20N2S/c1-2-13-7-11-5-3-4-10(11)6-12-8-14-9-15-12/h8-11,13H,2-7H2,1H3
InChIKeyXTQUPVFYXQZTGE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine

N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine (PubChem CID 112645572) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
PubChem CID112645572
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1cncs1
InChIInChI=1S/C12H20N2S/c1-2-13-7-11-5-3-4-10(11)6-12-8-14-9-15-12/h8-11,13H,2-7H2,1H3
InChIKeyXTQUPVFYXQZTGE-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 106469378
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 165498055
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine (CID 112645572) is N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1cncs1.
What is the InChIKey of N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is XTQUPVFYXQZTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-13-7-11-5-3-4-10(11)6-12-8-14-9-15-12/h8-11,13H,2-7H2,1H3.
What are the key properties of N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine?
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 112645572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).