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

C12H18N2OS — CID 62614924

IUPAC2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCN(Cc1cscn1)CC1CCCCC1=O
InChIInChI=1S/C12H18N2OS/c1-14(7-11-8-16-9-13-11)6-10-4-2-3-5-12(10)15/h8-10H,2-7H2,1H3
InChIKeyLUOVSYSMZYLCCS-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.33
Rot. Bonds4

About 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one

2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62614924) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID62614924
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCN(Cc1cscn1)CC1CCCCC1=O
InChIInChI=1S/C12H18N2OS/c1-14(7-11-8-16-9-13-11)6-10-4-2-3-5-12(10)15/h8-10H,2-7H2,1H3
InChIKeyLUOVSYSMZYLCCS-UHFFFAOYSA-N
XLogP2.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one (CID 62614924) is 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one is CN(Cc1cscn1)CC1CCCCC1=O.
What is the InChIKey of 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is LUOVSYSMZYLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(7-11-8-16-9-13-11)6-10-4-2-3-5-12(10)15/h8-10H,2-7H2,1H3.
What are the key properties of 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one?
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 238.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62614924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).