N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine

C20H24N6O2S2 — CID 74767785

IUPACN-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
SMILESc1coc(CCNc2nnc(CCCCc3nnc(NCCc4ccco4)s3)s2)c1
InChIInChI=1S/C20H24N6O2S2/c1(7-17-23-25-19(29-17)21-11-9-15-5-3-13-27-15)2-8-18-24-26-20(30-18)22-12-10-16-6-4-14-28-16/h3-6,13-14H,1-2,7-12H2,(H,21,25)(H,22,26)
InChIKeyIFHLHEZJURESIM-UHFFFAOYSA-N
MW444.59 g/mol
LogP4.45
Rot. Bonds13

About N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine

N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 74767785) has the molecular formula C20H24N6O2S2 and a molecular weight of 444.59 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
PubChem CID74767785
Molecular FormulaC20H24N6O2S2
Molecular Weight444.59 g/mol
Exact Mass444.14
IUPAC NameN-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
SMILESc1coc(CCNc2nnc(CCCCc3nnc(NCCc4ccco4)s3)s2)c1
InChIInChI=1S/C20H24N6O2S2/c1(7-17-23-25-19(29-17)21-11-9-15-5-3-13-27-15)2-8-18-24-26-20(30-18)22-12-10-16-6-4-14-28-16/h3-6,13-14H,1-2,7-12H2,(H,21,25)(H,22,26)
InChIKeyIFHLHEZJURESIM-UHFFFAOYSA-N
XLogP4.45
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 79400362
2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
CID 63383961
N-[2-(furan-2-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382604
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607754
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 31036670

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine (CID 74767785) is N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine is c1coc(CCNc2nnc(CCCCc3nnc(NCCc4ccco4)s3)s2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IFHLHEZJURESIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S2/c1(7-17-23-25-19(29-17)21-11-9-15-5-3-13-27-15)2-8-18-24-26-20(30-18)22-12-10-16-6-4-14-28-16/h3-6,13-14H,1-2,7-12H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 444.59 g/mol, XLogP of 4.45, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 74767785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).