5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine

C7H13N3OS2 — CID 115626683

IUPAC5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCCCSc1nnc(N)s1
InChIInChI=1S/C7H13N3OS2/c1-11-4-2-3-5-12-7-10-9-6(8)13-7/h2-5H2,1H3,(H2,8,9)
InChIKeyXDCMABWSMXUDDS-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.64
Rot. Bonds6

About 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115626683) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID115626683
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCCCSc1nnc(N)s1
InChIInChI=1S/C7H13N3OS2/c1-11-4-2-3-5-12-7-10-9-6(8)13-7/h2-5H2,1H3,(H2,8,9)
InChIKeyXDCMABWSMXUDDS-UHFFFAOYSA-N
XLogP1.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.64
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

5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115647521
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 81093628
2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol
CID 61071093
5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpentanenitrile
CID 65256230
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
5-[3-(4-chloro-3-methylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 154700996
5-(3-naphthalen-1-yloxypropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71889321
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 115626683) is 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine is COCCCCSc1nnc(N)s1.
What is the InChIKey of 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XDCMABWSMXUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-11-4-2-3-5-12-7-10-9-6(8)13-7/h2-5H2,1H3,(H2,8,9).
What are the key properties of 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115626683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).