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

C12H20N2OS — CID 104611833

IUPAC2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOC1(c2nc(C)c(CCN)s2)CCCC1
InChIInChI=1S/C12H20N2OS/c1-9-10(5-8-13)16-11(14-9)12(15-2)6-3-4-7-12/h3-8,13H2,1-2H3
InChIKeyFFHOYVVCEBGMIO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.37
Rot. Bonds4

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

2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 104611833) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID104611833
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOC1(c2nc(C)c(CCN)s2)CCCC1
InChIInChI=1S/C12H20N2OS/c1-9-10(5-8-13)16-11(14-9)12(15-2)6-3-4-7-12/h3-8,13H2,1-2H3
InChIKeyFFHOYVVCEBGMIO-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(1-methylcyclobutyl)-1,3-thiazol-5-yl]ethanamine
CID 115027132
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
CID 114361948
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774126
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 104611581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 104611833) is 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COC1(c2nc(C)c(CCN)s2)CCCC1.
What is the InChIKey of 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FFHOYVVCEBGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-10(5-8-13)16-11(14-9)12(15-2)6-3-4-7-12/h3-8,13H2,1-2H3.
What are the key properties of 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 104611833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).