1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C13H22N2OS — CID 104611581

IUPAC1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C13H22N2OS/c1-9(14-3)11-10(2)15-12(17-11)13(16-4)7-5-6-8-13/h9,14H,5-8H2,1-4H3
InChIKeyWMAODFZVGOYRGR-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.15
Rot. Bonds4

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

1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 104611581) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID104611581
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C2(OC)CCCC2)nc1C
InChIInChI=1S/C13H22N2OS/c1-9(14-3)11-10(2)15-12(17-11)13(16-4)7-5-6-8-13/h9,14H,5-8H2,1-4H3
InChIKeyWMAODFZVGOYRGR-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774276
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 63161416
1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774126
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116774588
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 104611581) is 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(C2(OC)CCCC2)nc1C.
What is the InChIKey of 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is WMAODFZVGOYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(14-3)11-10(2)15-12(17-11)13(16-4)7-5-6-8-13/h9,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 254.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 104611581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).