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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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).