N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine

C13H22N2OS — CID 55073498

IUPACN-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC2CCCCC2C)cs1
InChIInChI=1S/C13H22N2OS/c1-10-5-3-4-6-12(10)16-8-11-9-17-13(15-11)7-14-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeySHAMYWMJIYDTPU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 55073498) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
PubChem CID55073498
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC2CCCCC2C)cs1
InChIInChI=1S/C13H22N2OS/c1-10-5-3-4-6-12(10)16-8-11-9-17-13(15-11)7-14-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeySHAMYWMJIYDTPU-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine (CID 55073498) is N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine is CNCc1nc(COC2CCCCC2C)cs1.
What is the InChIKey of N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is SHAMYWMJIYDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-5-3-4-6-12(10)16-8-11-9-17-13(15-11)7-14-2/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55073498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).