N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

C12H13N5O2S2 — CID 36983445

IUPACN-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1
InChIInChI=1S/C12H13N5O2S2/c1-3-13-11-15-16-12(21-11)20-7(2)10-14-9(17-19-10)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyKEEXQULISVFIIP-ZETCQYMHSA-N
MW323.40 g/mol
LogP3.47
Rot. Bonds6

About N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 36983445) has the molecular formula C12H13N5O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID36983445
Molecular FormulaC12H13N5O2S2
Molecular Weight323.40 g/mol
Exact Mass323.05
IUPAC NameN-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1
InChIInChI=1S/C12H13N5O2S2/c1-3-13-11-15-16-12(21-11)20-7(2)10-14-9(17-19-10)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyKEEXQULISVFIIP-ZETCQYMHSA-N
XLogP3.47
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-ethyl-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42955623
5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052764
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
2-[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46648568
N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42954108
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477
N-(2-methylpropyl)-5-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 134035826
N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43054798
5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 134052428
5-[(1R)-1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36982527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 36983445) is N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1.
What is the InChIKey of N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KEEXQULISVFIIP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13N5O2S2/c1-3-13-11-15-16-12(21-11)20-7(2)10-14-9(17-19-10)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 36983445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).