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

C9H10N4S — CID 5270654

IUPAC5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4S/c1-11-9-13-12-8(14-9)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,13)
InChIKeyTWYPSBMFDYFBSN-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.83
Rot. Bonds2

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

5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 5270654) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID5270654
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4S/c1-11-9-13-12-8(14-9)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,13)
InChIKeyTWYPSBMFDYFBSN-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 5270654) is 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2ccc(N)cc2)s1.
What is the InChIKey of 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is TWYPSBMFDYFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-11-9-13-12-8(14-9)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,13).
What are the key properties of 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).