[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol

C11H17BrN2OS — CID 115770062

IUPAC[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-7(11-13-5-10(12)16-11)14-9-4-2-3-8(9)6-15/h5,7-9,14-15H,2-4,6H2,1H3
InChIKeyXEAARRXXUPRERY-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.72
Rot. Bonds4

About [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol

[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol (PubChem CID 115770062) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol
PubChem CID115770062
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-7(11-13-5-10(12)16-11)14-9-4-2-3-8(9)6-15/h5,7-9,14-15H,2-4,6H2,1H3
InChIKeyXEAARRXXUPRERY-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
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2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035
[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
CID 103914086
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
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[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066

Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol (CID 115770062) is [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol is CC(NC1CCCC1CO)c1ncc(Br)s1.
What is the InChIKey of [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol?
The InChIKey is XEAARRXXUPRERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-7(11-13-5-10(12)16-11)14-9-4-2-3-8(9)6-15/h5,7-9,14-15H,2-4,6H2,1H3.
What are the key properties of [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol?
[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol has a molecular weight of 305.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 115770062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).