1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

C11H15N3OS3 — CID 115383688

IUPAC1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCSc1nnc(SCCNC(C)c2ccco2)s1
InChIInChI=1S/C11H15N3OS3/c1-8(9-4-3-6-15-9)12-5-7-17-11-14-13-10(16-2)18-11/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyFKGQZYSUZRONHL-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.30
Rot. Bonds7

About 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 115383688) has the molecular formula C11H15N3OS3 and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID115383688
Molecular FormulaC11H15N3OS3
Molecular Weight301.46 g/mol
Exact Mass301.04
IUPAC Name1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCSc1nnc(SCCNC(C)c2ccco2)s1
InChIInChI=1S/C11H15N3OS3/c1-8(9-4-3-6-15-9)12-5-7-17-11-14-13-10(16-2)18-11/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyFKGQZYSUZRONHL-UHFFFAOYSA-N
XLogP3.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55091940
N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 113298812
1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62579783
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 62582277
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 115382843
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 115383688) is 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is CSc1nnc(SCCNC(C)c2ccco2)s1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is FKGQZYSUZRONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS3/c1-8(9-4-3-6-15-9)12-5-7-17-11-14-13-10(16-2)18-11/h3-4,6,8,12H,5,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 115383688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).