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

C11H18N2OS — CID 64912098

IUPAC2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1csc(NCC2CCCCC2O)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-4-2-3-5-10(9)14/h7,9-10,14H,2-6H2,1H3,(H,12,13)
InChIKeyVIPSBGWDVIFTBW-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.41
Rot. Bonds3

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

2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64912098) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64912098
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1csc(NCC2CCCCC2O)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-4-2-3-5-10(9)14/h7,9-10,14H,2-6H2,1H3,(H,12,13)
InChIKeyVIPSBGWDVIFTBW-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 64912098) is 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is Cc1csc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is VIPSBGWDVIFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-4-2-3-5-10(9)14/h7,9-10,14H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).