2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

C19H17N3O4S2 — CID 39526958

IUPAC2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(SCc3csc(-c4ccc(C)o4)n3)o2)c1
InChIInChI=1S/C19H17N3O4S2/c1-11-4-5-16(25-11)18-20-13(9-27-18)10-28-19-22-21-17(26-19)12-6-14(23-2)8-15(7-12)24-3/h4-9H,10H2,1-3H3
InChIKeyLZFCBUJKFLYNLD-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.07
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 39526958) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID39526958
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(SCc3csc(-c4ccc(C)o4)n3)o2)c1
InChIInChI=1S/C19H17N3O4S2/c1-11-4-5-16(25-11)18-20-13(9-27-18)10-28-19-22-21-17(26-19)12-6-14(23-2)8-15(7-12)24-3/h4-9H,10H2,1-3H3
InChIKeyLZFCBUJKFLYNLD-UHFFFAOYSA-N
XLogP5.07
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,5-dimethylphenyl)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 32904752
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 31460895
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 7651066
2-(3,4-dimethoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 5298267
4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 39532730
2-(3,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4822853
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46435510
2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 4804896
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 39526958) is 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is COc1cc(OC)cc(-c2nnc(SCc3csc(-c4ccc(C)o4)n3)o2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is LZFCBUJKFLYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-11-4-5-16(25-11)18-20-13(9-27-18)10-28-19-22-21-17(26-19)12-6-14(23-2)8-15(7-12)24-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 415.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 39526958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).