2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol

C14H24N2OS — CID 79849133

IUPAC2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1cscn1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C14H24N2OS/c1-14(2)6-4-5-11(13(14)17)7-16(3)8-12-9-18-10-15-12/h9-11,13,17H,4-8H2,1-3H3
InChIKeyMYFZAFKRFJGKJW-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.76
Rot. Bonds4

About 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol

2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79849133) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
PubChem CID79849133
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1cscn1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C14H24N2OS/c1-14(2)6-4-5-11(13(14)17)7-16(3)8-12-9-18-10-15-12/h9-11,13,17H,4-8H2,1-3H3
InChIKeyMYFZAFKRFJGKJW-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol (CID 79849133) is 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol is CN(Cc1cscn1)CC1CCCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MYFZAFKRFJGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2)6-4-5-11(13(14)17)7-16(3)8-12-9-18-10-15-12/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79849133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).