5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

C10H8BrCl2N3S — CID 64625293

IUPAC5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(Br)s2)c(Cl)c1
InChIInChI=1S/C10H8BrCl2N3S/c11-9-15-16-10(17-9)14-4-3-6-1-2-7(12)5-8(6)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyINVSQKLKCYBJOS-UHFFFAOYSA-N
MW353.07 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64625293) has the molecular formula C10H8BrCl2N3S and a molecular weight of 353.07 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64625293
Molecular FormulaC10H8BrCl2N3S
Molecular Weight353.07 g/mol
Exact Mass350.90
IUPAC Name5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(Br)s2)c(Cl)c1
InChIInChI=1S/C10H8BrCl2N3S/c11-9-15-16-10(17-9)14-4-3-6-1-2-7(12)5-8(6)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyINVSQKLKCYBJOS-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.07
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-5-carboxylic acid
CID 80571729
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 43213712
N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304676
methyl 2-[2-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571687
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64623499
N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
CID 110826684
1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 63422466
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
CID 28903733
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64625293) is 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is Clc1ccc(CCNc2nnc(Br)s2)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is INVSQKLKCYBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3S/c11-9-15-16-10(17-9)14-4-3-6-1-2-7(12)5-8(6)13/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 353.07 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64625293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).