N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H26N2S — CID 65405428

IUPACN-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(c2ncc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C15H26N2S/c1-5-11-6-7-12(8-11)14-16-9-13(18-14)10-17-15(2,3)4/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyDANFTQRWSFYGPI-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.32
Rot. Bonds4

About N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65405428) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65405428
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(c2ncc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C15H26N2S/c1-5-11-6-7-12(8-11)14-16-9-13(18-14)10-17-15(2,3)4/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyDANFTQRWSFYGPI-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65412814
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
CID 115698956
2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
CID 65404794
N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65412985
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
CID 115698948
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 65415819
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pentan-2-amine
CID 115698852
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
CID 65415619

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 65405428) is N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCC1CCC(c2ncc(CNC(C)(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DANFTQRWSFYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-11-6-7-12(8-11)14-16-9-13(18-14)10-17-15(2,3)4/h9,11-12,17H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65405428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).