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

C13H22N2OS — CID 55130252

IUPACN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11(2)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyXBQZZADHTXMTFI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds5

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

N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 55130252) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID55130252
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11(2)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyXBQZZADHTXMTFI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-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-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine (CID 55130252) is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cscn2)CCOCC1.
What is the InChIKey of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is XBQZZADHTXMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11(2)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine?
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55130252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).