N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

C13H15Br2N3S — CID 107942038

IUPACN-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2ccc(Br)cc2Br)s1
InChIInChI=1S/C13H15Br2N3S/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(14)7-11(10)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyNOYANXLFRVEXDJ-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.27
Rot. Bonds5

About N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 107942038) has the molecular formula C13H15Br2N3S and a molecular weight of 405.16 g/mol. Its IUPAC name is N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
PubChem CID107942038
Molecular FormulaC13H15Br2N3S
Molecular Weight405.16 g/mol
Exact Mass402.94
IUPAC NameN-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2ccc(Br)cc2Br)s1
InChIInChI=1S/C13H15Br2N3S/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(14)7-11(10)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyNOYANXLFRVEXDJ-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (CID 107942038) is N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(-c2ccc(Br)cc2Br)s1.
What is the InChIKey of N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is NOYANXLFRVEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3S/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(14)7-11(10)15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 405.16 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 107942038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).