N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C16H18N4O2S — CID 120869224

IUPACN-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2cccc(OCc3cscn3)c2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(17-2)6-15-19-16(22-20-15)12-4-3-5-14(7-12)21-8-13-9-23-10-18-13/h3-5,7,9-11,17H,6,8H2,1-2H3
InChIKeySYFUYDMKKQSGSJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.92
Rot. Bonds7

About N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120869224) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120869224
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2cccc(OCc3cscn3)c2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(17-2)6-15-19-16(22-20-15)12-4-3-5-14(7-12)21-8-13-9-23-10-18-13/h3-5,7,9-11,17H,6,8H2,1-2H3
InChIKeySYFUYDMKKQSGSJ-UHFFFAOYSA-N
XLogP2.92
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120869224) is N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(-c2cccc(OCc3cscn3)c2)n1.
What is the InChIKey of N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SYFUYDMKKQSGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(17-2)6-15-19-16(22-20-15)12-4-3-5-14(7-12)21-8-13-9-23-10-18-13/h3-5,7,9-11,17H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 330.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120869224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).