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

C10H12N4S — CID 15449672

IUPAC5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccccc2N)s1
InChIInChI=1S/C10H12N4S/c1-14(2)10-13-12-9(15-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3
InChIKeyQGIDKGRWRWZHFT-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.85
Rot. Bonds2

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

5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 15449672) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID15449672
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccccc2N)s1
InChIInChI=1S/C10H12N4S/c1-14(2)10-13-12-9(15-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3
InChIKeyQGIDKGRWRWZHFT-UHFFFAOYSA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 15449672) is 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(-c2ccccc2N)s1.
What is the InChIKey of 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QGIDKGRWRWZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14(2)10-13-12-9(15-10)7-5-3-4-6-8(7)11/h3-6H,11H2,1-2H3.
What are the key properties of 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 15449672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).