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

C8H15N3S3 — CID 115383293

IUPACN-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCSc1nnc(SCCNC(C)C)s1
InChIInChI=1S/C8H15N3S3/c1-6(2)9-4-5-13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3
InChIKeyZDZVYTGTEFREDC-UHFFFAOYSA-N
MW249.43 g/mol
LogP2.35
Rot. Bonds6

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

N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (PubChem CID 115383293) has the molecular formula C8H15N3S3 and a molecular weight of 249.43 g/mol. Its IUPAC name is N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
PubChem CID115383293
Molecular FormulaC8H15N3S3
Molecular Weight249.43 g/mol
Exact Mass249.04
IUPAC NameN-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCSc1nnc(SCCNC(C)C)s1
InChIInChI=1S/C8H15N3S3/c1-6(2)9-4-5-13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3
InChIKeyZDZVYTGTEFREDC-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113298827
5-[2-(Dimethylazaniumyl)ethylsulfanyl]-1,3,4-thiadiazole-2-thiolate
CID 28434790
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 61386342
N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386355
N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386357
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 61386359
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
CID 61386364
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386372
2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 61386375
2-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile
CID 61922404
N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576236
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576640

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (CID 115383293) is N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is CSc1nnc(SCCNC(C)C)s1.
What is the InChIKey of N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The InChIKey is ZDZVYTGTEFREDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S3/c1-6(2)9-4-5-13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3.
What are the key properties of N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine has a molecular weight of 249.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is sourced from PubChem (CID 115383293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).