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

C14H25N3OS — CID 62434020

IUPACN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
SMILESCCCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-9-14-16-12(11-19-14)10-17(2)13-4-7-18-8-5-13/h11,13,15H,3-10H2,1-2H3
InChIKeyYTBAGQCEGPEYIF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.25
Rot. Bonds7

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

N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine (PubChem CID 62434020) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
PubChem CID62434020
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
SMILESCCCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-9-14-16-12(11-19-14)10-17(2)13-4-7-18-8-5-13/h11,13,15H,3-10H2,1-2H3
InChIKeyYTBAGQCEGPEYIF-UHFFFAOYSA-N
XLogP2.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine (CID 62434020) is N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine is CCCNCc1nc(CN(C)C2CCOCC2)cs1.
What is the InChIKey of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The InChIKey is YTBAGQCEGPEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-6-15-9-14-16-12(11-19-14)10-17(2)13-4-7-18-8-5-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine has a molecular weight of 283.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine is sourced from PubChem (CID 62434020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).