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

C9H18N4S2 — CID 63736645

IUPACN,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4S2/c1-10-6-4-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3
InChIKeyITAFEKFNGPGSCA-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.70
Rot. Bonds7

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

N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736645) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736645
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC NameN,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4S2/c1-10-6-4-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3
InChIKeyITAFEKFNGPGSCA-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.70
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 N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736645) is N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine is CNCCCCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ITAFEKFNGPGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-10-6-4-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 246.40 g/mol, XLogP of 1.70, 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-[4-(methylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).