5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H12N4S2 — CID 63737803

IUPAC5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(N)cc2)s1
InChIInChI=1S/C10H12N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-7(11)4-6-8/h3-6H,11H2,1-2H3
InChIKeyVBTGHDZZCLLUGL-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.34
Rot. Bonds3

About 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737803) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737803
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(N)cc2)s1
InChIInChI=1S/C10H12N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-7(11)4-6-8/h3-6H,11H2,1-2H3
InChIKeyVBTGHDZZCLLUGL-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737803) is 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ccc(N)cc2)s1.
What is the InChIKey of 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VBTGHDZZCLLUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-7(11)4-6-8/h3-6H,11H2,1-2H3.
What are the key properties of 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 252.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).