2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H15N3O2S2 — CID 156906230

IUPAC2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOCc1csc(-c2nnc(-c3sc(-c4ccccc4)nc3C)o2)c1
InChIInChI=1S/C18H15N3O2S2/c1-11-15(25-18(19-11)13-6-4-3-5-7-13)17-21-20-16(23-17)14-8-12(9-22-2)10-24-14/h3-8,10H,9H2,1-2H3
InChIKeyDZOGKMLILIKMOJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.04
Rot. Bonds5

About 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 156906230) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID156906230
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOCc1csc(-c2nnc(-c3sc(-c4ccccc4)nc3C)o2)c1
InChIInChI=1S/C18H15N3O2S2/c1-11-15(25-18(19-11)13-6-4-3-5-7-13)17-21-20-16(23-17)14-8-12(9-22-2)10-24-14/h3-8,10H,9H2,1-2H3
InChIKeyDZOGKMLILIKMOJ-UHFFFAOYSA-N
XLogP5.04
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 156906230) is 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is COCc1csc(-c2nnc(-c3sc(-c4ccccc4)nc3C)o2)c1.
What is the InChIKey of 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is DZOGKMLILIKMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-11-15(25-18(19-11)13-6-4-3-5-7-13)17-21-20-16(23-17)14-8-12(9-22-2)10-24-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 369.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)thiophen-2-yl]-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 156906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).