2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

C12H20N2OS — CID 64911049

IUPAC2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1csc(NCC2CCCCC2O)n1
InChIInChI=1S/C12H20N2OS/c1-2-10-8-16-12(14-10)13-7-9-5-3-4-6-11(9)15/h8-9,11,15H,2-7H2,1H3,(H,13,14)
InChIKeyVWRJHNLCVUQBIC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.67
Rot. Bonds4

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

2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64911049) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64911049
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1csc(NCC2CCCCC2O)n1
InChIInChI=1S/C12H20N2OS/c1-2-10-8-16-12(14-10)13-7-9-5-3-4-6-11(9)15/h8-9,11,15H,2-7H2,1H3,(H,13,14)
InChIKeyVWRJHNLCVUQBIC-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 64911049) is 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is CCc1csc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is VWRJHNLCVUQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10-8-16-12(14-10)13-7-9-5-3-4-6-11(9)15/h8-9,11,15H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).