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

C10H13N3OS3 — CID 113298590

IUPAC2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCSc1nnc(SC(CN)c2ccc(C)o2)s1
InChIInChI=1S/C10H13N3OS3/c1-6-3-4-7(14-6)8(5-11)16-10-13-12-9(15-2)17-10/h3-4,8H,5,11H2,1-2H3
InChIKeyMCVXOQNTCQZOHU-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.95
Rot. Bonds5

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

2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 113298590) has the molecular formula C10H13N3OS3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID113298590
Molecular FormulaC10H13N3OS3
Molecular Weight287.44 g/mol
Exact Mass287.02
IUPAC Name2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCSc1nnc(SC(CN)c2ccc(C)o2)s1
InChIInChI=1S/C10H13N3OS3/c1-6-3-4-7(14-6)8(5-11)16-10-13-12-9(15-2)17-10/h3-4,8H,5,11H2,1-2H3
InChIKeyMCVXOQNTCQZOHU-UHFFFAOYSA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine with MolForge

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Related Compounds

2-(3-bromophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115382936
2-(5-methylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62849284
2-(3-chlorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 55101462
2-(2-methylbutylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 107748920
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
3-[2-amino-1-(5-methylfuran-2-yl)ethyl]sulfanylbutan-1-ol
CID 66103474
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820
2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 63119247
5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738884
1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 115382843
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 113298590) is 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CSc1nnc(SC(CN)c2ccc(C)o2)s1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is MCVXOQNTCQZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS3/c1-6-3-4-7(14-6)8(5-11)16-10-13-12-9(15-2)17-10/h3-4,8H,5,11H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 287.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 113298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).