2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine

C12H20N2OS — CID 61281411

IUPAC2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cnc(C)s1
InChIInChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-4-6-12(11)15-2/h7,11-12,14H,3-6,8H2,1-2H3
InChIKeyMNYPKRSJVHSJMG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.50
Rot. Bonds4

About 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine

2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 61281411) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID61281411
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cnc(C)s1
InChIInChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-4-6-12(11)15-2/h7,11-12,14H,3-6,8H2,1-2H3
InChIKeyMNYPKRSJVHSJMG-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine (CID 61281411) is 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine is COC1CCCCC1NCc1cnc(C)s1.
What is the InChIKey of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is MNYPKRSJVHSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-4-6-12(11)15-2/h7,11-12,14H,3-6,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61281411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).