5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C13H12N4O2S — CID 86817496

IUPAC5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3cscn3)o2)cc1
InChIInChI=1S/C13H12N4O2S/c1-18-11-4-2-9(3-5-11)12-16-17-13(19-12)14-6-10-7-20-8-15-10/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyRTCRTMDPNPYKDF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.81
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86817496) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID86817496
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3cscn3)o2)cc1
InChIInChI=1S/C13H12N4O2S/c1-18-11-4-2-9(3-5-11)12-16-17-13(19-12)14-6-10-7-20-8-15-10/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyRTCRTMDPNPYKDF-UHFFFAOYSA-N
XLogP2.81
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 86817496) is 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(NCc3cscn3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RTCRTMDPNPYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-18-11-4-2-9(3-5-11)12-16-17-13(19-12)14-6-10-7-20-8-15-10/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 288.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86817496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).