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

C9H17N3S3 — CID 115383287

IUPAC3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCCCSc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-3-5-10-6-4-7-14-9-12-11-8(13-2)15-9/h10H,3-7H2,1-2H3
InChIKeyLFWXNCWIEAJONP-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.74
Rot. Bonds8

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

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine (PubChem CID 115383287) has the molecular formula C9H17N3S3 and a molecular weight of 263.46 g/mol. Its IUPAC name is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine
PubChem CID115383287
Molecular FormulaC9H17N3S3
Molecular Weight263.46 g/mol
Exact Mass263.06
IUPAC Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCCCSc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-3-5-10-6-4-7-14-9-12-11-8(13-2)15-9/h10H,3-7H2,1-2H3
InChIKeyLFWXNCWIEAJONP-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine (CID 115383287) is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine is CCCNCCCSc1nnc(SC)s1.
What is the InChIKey of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The InChIKey is LFWXNCWIEAJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S3/c1-3-5-10-6-4-7-14-9-12-11-8(13-2)15-9/h10H,3-7H2,1-2H3.
What are the key properties of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine has a molecular weight of 263.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115383287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).