5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C16H17N5O2S2 — CID 60513606

IUPAC5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(SC(C)c3nc(C4CC4)no3)s2)c1
InChIInChI=1S/C16H17N5O2S2/c1-9(14-18-13(21-23-14)10-6-7-10)24-16-20-19-15(25-16)17-11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,19)
InChIKeyPZYGKESRPNMPRP-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.40
Rot. Bonds7

About 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 60513606) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID60513606
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(SC(C)c3nc(C4CC4)no3)s2)c1
InChIInChI=1S/C16H17N5O2S2/c1-9(14-18-13(21-23-14)10-6-7-10)24-16-20-19-15(25-16)17-11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,19)
InChIKeyPZYGKESRPNMPRP-UHFFFAOYSA-N
XLogP4.40
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-bromophenyl)-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 134052425
5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 55574247
N-(3-methoxyphenyl)-5-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46435061
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 51236234
2-[(1R)-1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135830179
N-(3,4-dimethylphenyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567666
N-(3,4-dimethylphenyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567667
N-(3-acetylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 42981138
(2R)-1-(4-ethoxyphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7274817
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 2559367
trans-(1S,3S)-3-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentane-1-carbonitrile
CID 124887292
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 55424043

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 60513606) is 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1cccc(Nc2nnc(SC(C)c3nc(C4CC4)no3)s2)c1.
What is the InChIKey of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PZYGKESRPNMPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-9(14-18-13(21-23-14)10-6-7-10)24-16-20-19-15(25-16)17-11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60513606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).