1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol

C11H18N2OS — CID 111425443

IUPAC1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
SMILESOC(CNCc1cscn1)C1CCCC1
InChIInChI=1S/C11H18N2OS/c14-11(9-3-1-2-4-9)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,1-6H2
InChIKeyROJCYAAPDMVGTH-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.78
Rot. Bonds5

About 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol

1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol (PubChem CID 111425443) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
PubChem CID111425443
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
SMILESOC(CNCc1cscn1)C1CCCC1
InChIInChI=1S/C11H18N2OS/c14-11(9-3-1-2-4-9)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,1-6H2
InChIKeyROJCYAAPDMVGTH-UHFFFAOYSA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425450
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103251563
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol?
The IUPAC name of 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol (CID 111425443) is 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol is OC(CNCc1cscn1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol?
The InChIKey is ROJCYAAPDMVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-11(9-3-1-2-4-9)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,1-6H2.
What are the key properties of 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol?
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol is sourced from PubChem (CID 111425443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).