2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C13H22N2OS — CID 64927098

IUPAC2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1ncc(CNCC2CCCCC2O)s1
InChIInChI=1S/C13H22N2OS/c1-2-13-15-9-11(17-13)8-14-7-10-5-3-4-6-12(10)16/h9-10,12,14,16H,2-8H2,1H3
InChIKeyPAEGNJSPUNHBJG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.35
Rot. Bonds5

About 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927098) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927098
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1ncc(CNCC2CCCCC2O)s1
InChIInChI=1S/C13H22N2OS/c1-2-13-15-9-11(17-13)8-14-7-10-5-3-4-6-12(10)16/h9-10,12,14,16H,2-8H2,1H3
InChIKeyPAEGNJSPUNHBJG-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 104879210
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 104879247
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 115684440
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115696168
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 60981942
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 113255341
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
1-(2-methylcyclopentyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107417627
1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65107863

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 64927098) is 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is CCc1ncc(CNCC2CCCCC2O)s1.
What is the InChIKey of 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PAEGNJSPUNHBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-13-15-9-11(17-13)8-14-7-10-5-3-4-6-12(10)16/h9-10,12,14,16H,2-8H2,1H3.
What are the key properties of 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).