4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one

C11H16N2OS — CID 79120259

IUPAC4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1cscn1)C1CCC(=O)CC1
InChIInChI=1S/C11H16N2OS/c1-13(6-9-7-15-8-12-9)10-2-4-11(14)5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyNWESUUIOZGGWQH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.09
Rot. Bonds3

About 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one

4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one (PubChem CID 79120259) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
PubChem CID79120259
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1cscn1)C1CCC(=O)CC1
InChIInChI=1S/C11H16N2OS/c1-13(6-9-7-15-8-12-9)10-2-4-11(14)5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyNWESUUIOZGGWQH-UHFFFAOYSA-N
XLogP2.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one (CID 79120259) is 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one is CN(Cc1cscn1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one?
The InChIKey is NWESUUIOZGGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(6-9-7-15-8-12-9)10-2-4-11(14)5-3-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one?
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one has a molecular weight of 224.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).