1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C13H22N2OS — CID 79068032

IUPAC1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2(N(C)C)CCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10-14-11(9-17-10)8-12(16)13(15(2)3)6-4-5-7-13/h9,12,16H,4-8H2,1-3H3
InChIKeyABZFGRXCFAXCLO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.23
Rot. Bonds4

About 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 79068032) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID79068032
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2(N(C)C)CCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10-14-11(9-17-10)8-12(16)13(15(2)3)6-4-5-7-13/h9,12,16H,4-8H2,1-3H3
InChIKeyABZFGRXCFAXCLO-UHFFFAOYSA-N
XLogP2.23
TPSA36.36 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105106780
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242887
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79922112
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 79068032) is 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)C2(N(C)C)CCCC2)cs1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is ABZFGRXCFAXCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-14-11(9-17-10)8-12(16)13(15(2)3)6-4-5-7-13/h9,12,16H,4-8H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 254.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 79068032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).