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

C13H22N2O2S — CID 55072859

IUPACN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC2CCOCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-13-15-11(9-18-13)8-17-12-3-5-16-6-4-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWQFGKPZEPSHGDJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.34
Rot. Bonds6

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

N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 55072859) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID55072859
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC2CCOCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-13-15-11(9-18-13)8-17-12-3-5-16-6-4-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWQFGKPZEPSHGDJ-UHFFFAOYSA-N
XLogP2.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-anhydro-2,4-dideoxy-4-(tetrahydro-2H-pyran-4-ylamino)-3-O-(1,3-thiazol-4-ylmethyl)-D-erythro-pentitol
CID 91765709
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445400
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62445594
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62445595
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62445596
2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62446350
[4-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 66274673
N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 66274674
2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 66275537
N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 66275749
N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 66275757
N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 66275758

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 55072859) is N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(COC2CCOCC2)cs1.
What is the InChIKey of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is WQFGKPZEPSHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)14-7-13-15-11(9-18-13)8-17-12-3-5-16-6-4-12/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 270.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55072859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).