5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H20N4S2 — CID 55241443

IUPAC5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCCCNC2CC2)s1
InChIInChI=1S/C11H20N4S2/c1-15(2)10-13-14-11(17-10)16-8-4-3-7-12-9-5-6-9/h9,12H,3-8H2,1-2H3
InChIKeyFHOFDGVXYWBHTE-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.23
Rot. Bonds8

About 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241443) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241443
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC Name5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCCCNC2CC2)s1
InChIInChI=1S/C11H20N4S2/c1-15(2)10-13-14-11(17-10)16-8-4-3-7-12-9-5-6-9/h9,12H,3-8H2,1-2H3
InChIKeyFHOFDGVXYWBHTE-UHFFFAOYSA-N
XLogP2.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.23
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

N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 9378348
N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 9378347
N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 22110786
5-butylsulfanyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 52483341
N,N-dimethyl-5-[4-(2-methylpropylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55241251
5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241252
N,N-dimethyl-5-[3-(2-methylpropylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55241253
5-[2-(3,3-dimethylbutylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241444
5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241634
5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241636
5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241827
5-[1-(cyclohexylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55242214

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241443) is 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCCCNC2CC2)s1.
What is the InChIKey of 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FHOFDGVXYWBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-15(2)10-13-14-11(17-10)16-8-4-3-7-12-9-5-6-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 272.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).