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

C15H26N2OS — CID 62443365

IUPACN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC2CCCCC2C)cs1
InChIInChI=1S/C15H26N2OS/c1-11(2)16-8-15-17-13(10-19-15)9-18-14-7-5-4-6-12(14)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyOUMLOYMRHVAMIB-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.74
Rot. Bonds6

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

N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62443365) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62443365
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC2CCCCC2C)cs1
InChIInChI=1S/C15H26N2OS/c1-11(2)16-8-15-17-13(10-19-15)9-18-14-7-5-4-6-12(14)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyOUMLOYMRHVAMIB-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62443365) is N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(COC2CCCCC2C)cs1.
What is the InChIKey of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is OUMLOYMRHVAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)16-8-15-17-13(10-19-15)9-18-14-7-5-4-6-12(14)3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).