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

C10H13N3OS3 — CID 113298812

IUPACN-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCSc1nnc(SCCNCc2ccco2)s1
InChIInChI=1S/C10H13N3OS3/c1-15-9-12-13-10(17-9)16-6-4-11-7-8-3-2-5-14-8/h2-3,5,11H,4,6-7H2,1H3
InChIKeyPBEGFCLIULLFTH-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.73
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 113298812) has the molecular formula C10H13N3OS3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID113298812
Molecular FormulaC10H13N3OS3
Molecular Weight287.44 g/mol
Exact Mass287.02
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCSc1nnc(SCCNCc2ccco2)s1
InChIInChI=1S/C10H13N3OS3/c1-15-9-12-13-10(17-9)16-6-4-11-7-8-3-2-5-14-8/h2-3,5,11H,4,6-7H2,1H3
InChIKeyPBEGFCLIULLFTH-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.73
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-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383688
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292
2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 60664141
N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 62580322
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
3-methoxy-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383736
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-(furan-2-yl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55091940
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 115618496

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 113298812) is N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CSc1nnc(SCCNCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is PBEGFCLIULLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS3/c1-15-9-12-13-10(17-9)16-6-4-11-7-8-3-2-5-14-8/h2-3,5,11H,4,6-7H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 287.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 113298812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).