[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

C10H14N4O2S — CID 66381108

IUPAC[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCOCCCc1noc(-c2csc(CN)n2)n1
InChIInChI=1S/C10H14N4O2S/c1-15-4-2-3-8-13-10(16-14-8)7-6-17-9(5-11)12-7/h6H,2-5,11H2,1H3
InChIKeyYAZQAPUEZDITOH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.23
Rot. Bonds6

About [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66381108) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID66381108
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCOCCCc1noc(-c2csc(CN)n2)n1
InChIInChI=1S/C10H14N4O2S/c1-15-4-2-3-8-13-10(16-14-8)7-6-17-9(5-11)12-7/h6H,2-5,11H2,1H3
InChIKeyYAZQAPUEZDITOH-UHFFFAOYSA-N
XLogP1.23
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 66381108) is [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is COCCCc1noc(-c2csc(CN)n2)n1.
What is the InChIKey of [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is YAZQAPUEZDITOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-15-4-2-3-8-13-10(16-14-8)7-6-17-9(5-11)12-7/h6H,2-5,11H2,1H3.
What are the key properties of [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66381108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).