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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Related Compounds

N-Methyl-2-(2-oxoazepan-1-YL)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 47870147
1-(1,3-Thiazol-4-ylmethyl)piperidin-2-one
CID 141388012
N-methyl-N-[(3R)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]acetamide
CID 178667963
1-(1,3-Thiazol-4-ylmethyl)piperidin-4-one
CID 28782292
N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine
CID 52525748
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide
CID 55012408
4-Methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one
CID 55094586
1-[1-[(2-Propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
CID 55257004
1-[1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
CID 55257382
2-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61557555
2-Methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-one
CID 61557609
2-[Methyl(1,3-thiazol-4-ylmethyl)amino]cycloheptan-1-one
CID 61610494

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).