2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine

C10H15BrN2OS — CID 102634612

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-12-7-4-2-3-5-8(7)14-10-13-9(11)6-15-10/h6-8,12H,2-5H2,1H3
InChIKeyUPFFJGLJHCIEGF-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.82
Rot. Bonds3

About 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine

2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine (PubChem CID 102634612) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine
PubChem CID102634612
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-12-7-4-2-3-5-8(7)14-10-13-9(11)6-15-10/h6-8,12H,2-5H2,1H3
InChIKeyUPFFJGLJHCIEGF-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634773
N-methyl-2-thieno[3,2-c]pyridin-4-yloxycyclohexan-1-amine
CID 102634334
2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine
CID 103205004
4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
CID 79400429
trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
CID 24837203
2-(6-ethoxypyrazin-2-yl)oxy-N-methylcyclohexan-1-amine
CID 102634526
N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
CID 63474382
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
N-methyl-2-(1-methylimidazol-2-yl)oxycyclohexan-1-amine
CID 102634501
2-(1H-benzimidazol-2-yloxy)-N-methylcyclohexan-1-amine
CID 102634417
4-[2-(methylamino)cyclohexyl]oxybenzonitrile
CID 102634794

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine (CID 102634612) is 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine?
The InChIKey is UPFFJGLJHCIEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-12-7-4-2-3-5-8(7)14-10-13-9(11)6-15-10/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine?
2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine has a molecular weight of 291.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102634612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).