2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

C12H20N2OS — CID 65168390

IUPAC2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NCC2CCCCC2O)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)13-7-10-5-3-4-6-11(10)15/h10-11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyHATRACLCDJINRI-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.72
Rot. Bonds3

About 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65168390) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65168390
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NCC2CCCCC2O)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)13-7-10-5-3-4-6-11(10)15/h10-11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyHATRACLCDJINRI-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 65168390) is 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is Cc1nc(NCC2CCCCC2O)sc1C.
What is the InChIKey of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HATRACLCDJINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)13-7-10-5-3-4-6-11(10)15/h10-11,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65168390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).