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

C9H10N4S2 — CID 89188135

IUPACN-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NSc2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4S2/c1-6-11-12-9(14-6)13-15-8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyJQQPKTVSLBLLEM-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.55
Rot. Bonds3

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

N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 89188135) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID89188135
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC NameN-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NSc2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4S2/c1-6-11-12-9(14-6)13-15-8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyJQQPKTVSLBLLEM-UHFFFAOYSA-N
XLogP2.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 89188135) is N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NSc2ccc(N)cc2)s1.
What is the InChIKey of N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JQQPKTVSLBLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-6-11-12-9(14-6)13-15-8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13).
What are the key properties of N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine?
N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 238.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfanyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 89188135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).