N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

C16H20N2OS2 — CID 79959332

IUPACN-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCNC(Cc1csc(C2CSCCO2)n1)c1ccccc1
InChIInChI=1S/C16H20N2OS2/c1-17-14(12-5-3-2-4-6-12)9-13-10-21-16(18-13)15-11-20-8-7-19-15/h2-6,10,14-15,17H,7-9,11H2,1H3
InChIKeyXQSAQOLYPCPANA-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (PubChem CID 79959332) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
PubChem CID79959332
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCNC(Cc1csc(C2CSCCO2)n1)c1ccccc1
InChIInChI=1S/C16H20N2OS2/c1-17-14(12-5-3-2-4-6-12)9-13-10-21-16(18-13)15-11-20-8-7-19-15/h2-6,10,14-15,17H,7-9,11H2,1H3
InChIKeyXQSAQOLYPCPANA-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The IUPAC name of N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (CID 79959332) is N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The canonical SMILES for N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is CNC(Cc1csc(C2CSCCO2)n1)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The InChIKey is XQSAQOLYPCPANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-17-14(12-5-3-2-4-6-12)9-13-10-21-16(18-13)15-11-20-8-7-19-15/h2-6,10,14-15,17H,7-9,11H2,1H3.
What are the key properties of N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine has a molecular weight of 320.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1,4-oxathian-2-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is sourced from PubChem (CID 79959332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).