1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine

C10H13N3OS3 — CID 115382843

IUPAC1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCSc1nnc(SC(c2ccco2)C(C)N)s1
InChIInChI=1S/C10H13N3OS3/c1-6(11)8(7-4-3-5-14-7)16-10-13-12-9(15-2)17-10/h3-6,8H,11H2,1-2H3
InChIKeyXZHJIBNXEMHNHH-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.03
Rot. Bonds5

About 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine

1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 115382843) has the molecular formula C10H13N3OS3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID115382843
Molecular FormulaC10H13N3OS3
Molecular Weight287.44 g/mol
Exact Mass287.02
IUPAC Name1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCSc1nnc(SC(c2ccco2)C(C)N)s1
InChIInChI=1S/C10H13N3OS3/c1-6(11)8(7-4-3-5-14-7)16-10-13-12-9(15-2)17-10/h3-6,8H,11H2,1-2H3
InChIKeyXZHJIBNXEMHNHH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 62267140
1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383688
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
1-(furan-2-yl)-1-pentylsulfanylpropan-2-amine
CID 107748424
3-[2-amino-1-(furan-2-yl)propyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884246
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 113298812
2-(5-methylfuran-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 113298590
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738336

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (CID 115382843) is 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is CSc1nnc(SC(c2ccco2)C(C)N)s1.
What is the InChIKey of 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is XZHJIBNXEMHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS3/c1-6(11)8(7-4-3-5-14-7)16-10-13-12-9(15-2)17-10/h3-6,8H,11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 287.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 115382843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).