5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H15BrN4S2 — CID 63737334

IUPAC5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNc2ccc(Br)cc2)s1
InChIInChI=1S/C12H15BrN4S2/c1-17(2)11-15-16-12(19-11)18-8-7-14-10-5-3-9(13)4-6-10/h3-6,14H,7-8H2,1-2H3
InChIKeyZHHFDPUIBAOMSS-UHFFFAOYSA-N
MW359.32 g/mol
LogP3.57
Rot. Bonds6

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

5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737334) has the molecular formula C12H15BrN4S2 and a molecular weight of 359.32 g/mol. Its IUPAC name is 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737334
Molecular FormulaC12H15BrN4S2
Molecular Weight359.32 g/mol
Exact Mass357.99
IUPAC Name5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNc2ccc(Br)cc2)s1
InChIInChI=1S/C12H15BrN4S2/c1-17(2)11-15-16-12(19-11)18-8-7-14-10-5-3-9(13)4-6-10/h3-6,14H,7-8H2,1-2H3
InChIKeyZHHFDPUIBAOMSS-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one
CID 63739077
5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241636
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700
4-bromo-N-(2-methylsulfanylethyl)aniline
CID 62579741
N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736821
4-bromo-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194583
5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736775
4-bromo-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]aniline
CID 62577652
5-(5-chloropentylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738508
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile
CID 63737495

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737334) is 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNc2ccc(Br)cc2)s1.
What is the InChIKey of 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZHHFDPUIBAOMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S2/c1-17(2)11-15-16-12(19-11)18-8-7-14-10-5-3-9(13)4-6-10/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 359.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).