N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine

C11H22N4S2 — CID 54373121

IUPACN,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine
SMILESCC1CN(C)CC(C)N1C1N=C(N(C)C)SS1
InChIInChI=1S/C11H22N4S2/c1-8-6-14(5)7-9(2)15(8)11-12-10(13(3)4)16-17-11/h8-9,11H,6-7H2,1-5H3
InChIKeyUUPQCLCKFCPJPX-UHFFFAOYSA-N
MW274.46 g/mol
LogP1.61
Rot. Bonds1

About N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine

N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine (PubChem CID 54373121) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine
PubChem CID54373121
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC NameN,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine
SMILESCC1CN(C)CC(C)N1C1N=C(N(C)C)SS1
InChIInChI=1S/C11H22N4S2/c1-8-6-14(5)7-9(2)15(8)11-12-10(13(3)4)16-17-11/h8-9,11H,6-7H2,1-5H3
InChIKeyUUPQCLCKFCPJPX-UHFFFAOYSA-N
XLogP1.61
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine (CID 54373121) is N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine is CC1CN(C)CC(C)N1C1N=C(N(C)C)SS1.
What is the InChIKey of N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine?
The InChIKey is UUPQCLCKFCPJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-8-6-14(5)7-9(2)15(8)11-12-10(13(3)4)16-17-11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine?
N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine has a molecular weight of 274.46 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,4,6-trimethylpiperazin-1-yl)-3H-1,2,4-dithiazol-5-amine is sourced from PubChem (CID 54373121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).