2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C17H23N3OS — CID 111696195

IUPAC2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(CNCc2csc(-c3ccccn3)n2)CCCCC1O
InChIInChI=1S/C17H23N3OS/c1-17(8-4-2-7-15(17)21)12-18-10-13-11-22-16(20-13)14-6-3-5-9-19-14/h3,5-6,9,11,15,18,21H,2,4,7-8,10,12H2,1H3
InChIKeyURAJDKHZDVMUBU-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol

2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111696195) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111696195
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(CNCc2csc(-c3ccccn3)n2)CCCCC1O
InChIInChI=1S/C17H23N3OS/c1-17(8-4-2-7-15(17)21)12-18-10-13-11-22-16(20-13)14-6-3-5-9-19-14/h3,5-6,9,11,15,18,21H,2,4,7-8,10,12H2,1H3
InChIKeyURAJDKHZDVMUBU-UHFFFAOYSA-N
XLogP3.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133344011
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 111696195) is 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CC1(CNCc2csc(-c3ccccn3)n2)CCCCC1O.
What is the InChIKey of 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is URAJDKHZDVMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-17(8-4-2-7-15(17)21)12-18-10-13-11-22-16(20-13)14-6-3-5-9-19-14/h3,5-6,9,11,15,18,21H,2,4,7-8,10,12H2,1H3.
What are the key properties of 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 317.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111696195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).