1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol

C11H17BrN2OS — CID 115769999

IUPAC1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(10-13-6-9(12)16-10)14-7-11(15)4-2-3-5-11/h6,8,14-15H,2-5,7H2,1H3
InChIKeyOGINPQJVLYAMQS-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.86
Rot. Bonds4

About 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 115769999) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID115769999
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(10-13-6-9(12)16-10)14-7-11(15)4-2-3-5-11/h6,8,14-15H,2-5,7H2,1H3
InChIKeyOGINPQJVLYAMQS-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910
1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719652
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
CID 115890167
1-(5-bromo-1,3-thiazol-2-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115891542
1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 115769968
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 104653064
1-[(1-pyridin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 60909596
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol (CID 115769999) is 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)c1ncc(Br)s1.
What is the InChIKey of 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is OGINPQJVLYAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(10-13-6-9(12)16-10)14-7-11(15)4-2-3-5-11/h6,8,14-15H,2-5,7H2,1H3.
What are the key properties of 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 305.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115769999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).