[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol

C12H20N2OS — CID 115879388

IUPAC[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1(C)CO)c1cscn1
InChIInChI=1S/C12H20N2OS/c1-9(10-6-16-8-13-10)14-11-4-3-5-12(11,2)7-15/h6,8-9,11,14-15H,3-5,7H2,1-2H3
InChIKeyUUWGFWXXAXGOPG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds4

About [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol

[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol (PubChem CID 115879388) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol
PubChem CID115879388
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1(C)CO)c1cscn1
InChIInChI=1S/C12H20N2OS/c1-9(10-6-16-8-13-10)14-11-4-3-5-12(11,2)7-15/h6,8-9,11,14-15H,3-5,7H2,1-2H3
InChIKeyUUWGFWXXAXGOPG-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 115891364
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115920049
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 104584851
(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
CID 164651955
[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol
CID 115905963

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol (CID 115879388) is [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol is CC(NC1CCCC1(C)CO)c1cscn1.
What is the InChIKey of [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol?
The InChIKey is UUWGFWXXAXGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(10-6-16-8-13-10)14-11-4-3-5-12(11,2)7-15/h6,8-9,11,14-15H,3-5,7H2,1-2H3.
What are the key properties of [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol?
[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 115879388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).