2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

C15H14N4O2S2 — CID 133427747

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(Sc3nc(C4CC4)ns3)o2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-20-11-6-2-9(3-7-11)8-12-17-18-14(21-12)22-15-16-13(19-23-15)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyXDUPQEKKWJZULH-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.55
Rot. Bonds6

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 133427747) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID133427747
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(Sc3nc(C4CC4)ns3)o2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-20-11-6-2-9(3-7-11)8-12-17-18-14(21-12)22-15-16-13(19-23-15)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyXDUPQEKKWJZULH-UHFFFAOYSA-N
XLogP3.55
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 133427707
2-[(4-methoxyphenyl)methyl]-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066520
2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425825
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484318
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 51236207
2-[(4-methoxyphenyl)methyl]-5-(5-nitropyrimidin-2-yl)sulfanyl-1,3,4-oxadiazole
CID 133467885
(2R)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484324
propan-2-yl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102603006
1-[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 30833869
1-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 9457124
2-[(4-methoxyphenyl)methyl]-5-(3-phenylprop-2-ynylsulfanyl)-1,3,4-oxadiazole
CID 134065469
S-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl] 2-(4-chlorophenyl)ethanethioate
CID 126395022

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (CID 133427747) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is COc1ccc(Cc2nnc(Sc3nc(C4CC4)ns3)o2)cc1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is XDUPQEKKWJZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-20-11-6-2-9(3-7-11)8-12-17-18-14(21-12)22-15-16-13(19-23-15)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 346.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133427747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).