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

C12H24N4S2 — CID 55241634

IUPAC5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCCCNC(C)(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-12(2,3)13-8-6-7-9-17-11-15-14-10(18-11)16(4)5/h13H,6-9H2,1-5H3
InChIKeyPJTQVTAFSIRBQX-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.86
Rot. Bonds7

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

5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241634) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241634
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC Name5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCCCNC(C)(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-12(2,3)13-8-6-7-9-17-11-15-14-10(18-11)16(4)5/h13H,6-9H2,1-5H3
InChIKeyPJTQVTAFSIRBQX-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.86
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 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241634) is 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCCCNC(C)(C)C)s1.
What is the InChIKey of 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PJTQVTAFSIRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S2/c1-12(2,3)13-8-6-7-9-17-11-15-14-10(18-11)16(4)5/h13H,6-9H2,1-5H3.
What are the key properties of 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(tert-butylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).