N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H20N4S2 — CID 63736637

IUPACN,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4S2/c1-8(2)7-11-5-6-15-10-13-12-9(16-10)14(3)4/h8,11H,5-7H2,1-4H3
InChIKeyVRPAFWVQAAGBKA-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.94
Rot. Bonds7

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

N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736637) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736637
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC NameN,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4S2/c1-8(2)7-11-5-6-15-10-13-12-9(16-10)14(3)4/h8,11H,5-7H2,1-4H3
InChIKeyVRPAFWVQAAGBKA-UHFFFAOYSA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.94
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-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 3063683
N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736647
N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63738033
5-[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 113808312
2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
CID 9379515
5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 9379516
2-[[5-(2-Methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 9379644
N-(2-methylpropyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 52515535
5-[2-(cyclohexylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241056
N,N-dimethyl-5-[4-(2-methylpropylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55241251
N,N-dimethyl-5-[3-(2-methylpropylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55241253
5-[4-(cyclopropylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241443

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736637) is N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)CNCCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VRPAFWVQAAGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-8(2)7-11-5-6-15-10-13-12-9(16-10)14(3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 260.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).