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

C13H23N3OS — CID 138048393

IUPACN,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccsn1
InChIInChI=1S/C13H23N3OS/c1-11(12-4-9-18-15-12)14-10-13(16(2)3)5-7-17-8-6-13/h4,9,11,14H,5-8,10H2,1-3H3
InChIKeyNCFZBTUTLRRNEY-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.90
Rot. Bonds5

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

N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine (PubChem CID 138048393) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine
PubChem CID138048393
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccsn1
InChIInChI=1S/C13H23N3OS/c1-11(12-4-9-18-15-12)14-10-13(16(2)3)5-7-17-8-6-13/h4,9,11,14H,5-8,10H2,1-3H3
InChIKeyNCFZBTUTLRRNEY-UHFFFAOYSA-N
XLogP1.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine?
The IUPAC name of N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine (CID 138048393) is N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine.
What is the SMILES notation for N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine?
The canonical SMILES for N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine is CC(NCC1(N(C)C)CCOCC1)c1ccsn1.
What is the InChIKey of N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine?
The InChIKey is NCFZBTUTLRRNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11(12-4-9-18-15-12)14-10-13(16(2)3)5-7-17-8-6-13/h4,9,11,14H,5-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine?
N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine has a molecular weight of 269.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine is sourced from PubChem (CID 138048393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).