4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine

C12H20N2OS — CID 114341140

IUPAC4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(C)CCC(OCc2csc(N)n2)CC1
InChIInChI=1S/C12H20N2OS/c1-12(2)5-3-10(4-6-12)15-7-9-8-16-11(13)14-9/h8,10H,3-7H2,1-2H3,(H2,13,14)
InChIKeyLFQYOZMGISQHAT-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.21
Rot. Bonds3

About 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine

4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine (PubChem CID 114341140) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
PubChem CID114341140
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(C)CCC(OCc2csc(N)n2)CC1
InChIInChI=1S/C12H20N2OS/c1-12(2)5-3-10(4-6-12)15-7-9-8-16-11(13)14-9/h8,10H,3-7H2,1-2H3,(H2,13,14)
InChIKeyLFQYOZMGISQHAT-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine (CID 114341140) is 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine is CC1(C)CCC(OCc2csc(N)n2)CC1.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is LFQYOZMGISQHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2)5-3-10(4-6-12)15-7-9-8-16-11(13)14-9/h8,10H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine?
4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 240.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114341140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).