1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H22N2S — CID 65406205

IUPAC1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C13H22N2S/c1-4-10-5-6-11(7-10)13-15-9(2)12(16-13)8-14-3/h10-11,14H,4-8H2,1-3H3
InChIKeyBFZNLVRAFYJYBX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 65406205) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID65406205
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C13H22N2S/c1-4-10-5-6-11(7-10)13-15-9(2)12(16-13)8-14-3/h10-11,14H,4-8H2,1-3H3
InChIKeyBFZNLVRAFYJYBX-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 65406205) is 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCC1CCC(c2nc(C)c(CNC)s2)C1.
What is the InChIKey of 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BFZNLVRAFYJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-10-5-6-11(7-10)13-15-9(2)12(16-13)8-14-3/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65406205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).