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

C13H22N2OS — CID 65168508

IUPAC1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1nc(NCC2(O)CCC(C)CC2)sc1C
InChIInChI=1S/C13H22N2OS/c1-9-4-6-13(16,7-5-9)8-14-12-15-10(2)11(3)17-12/h9,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyADVIRQDXNJSHQI-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.11
Rot. Bonds3

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

1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65168508) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65168508
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCc1nc(NCC2(O)CCC(C)CC2)sc1C
InChIInChI=1S/C13H22N2OS/c1-9-4-6-13(16,7-5-9)8-14-12-15-10(2)11(3)17-12/h9,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyADVIRQDXNJSHQI-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65168508) is 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is Cc1nc(NCC2(O)CCC(C)CC2)sc1C.
What is the InChIKey of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is ADVIRQDXNJSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-4-6-13(16,7-5-9)8-14-12-15-10(2)11(3)17-12/h9,16H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).