N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C17H15N5O2S2 — CID 9477896

IUPACN-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ccccc1Nc1nnc(SCc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C17H15N5O2S2/c1-2-11-6-3-4-7-12(11)18-16-21-22-17(26-16)25-10-14-19-20-15(24-14)13-8-5-9-23-13/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyMPLVYEZQDMQDEB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.78
Rot. Bonds7

About N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9477896) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID9477896
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC NameN-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ccccc1Nc1nnc(SCc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C17H15N5O2S2/c1-2-11-6-3-4-7-12(11)18-16-21-22-17(26-16)25-10-14-19-20-15(24-14)13-8-5-9-23-13/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyMPLVYEZQDMQDEB-UHFFFAOYSA-N
XLogP4.78
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methylphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2096425
N-(2-ethylphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9477920
N-(2-ethylphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 9477918
N-(2,3-dimethylphenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 27914421
N-(2,3-dimethylphenyl)-5-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43025956
N-[5-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110656527
5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 41299417
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79140871
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7887121
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052764
2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9477896) is N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCc1ccccc1Nc1nnc(SCc2nnc(-c3ccco3)o2)s1.
What is the InChIKey of N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MPLVYEZQDMQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-2-11-6-3-4-7-12(11)18-16-21-22-17(26-16)25-10-14-19-20-15(24-14)13-8-5-9-23-13/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 385.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9477896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).