5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine

C8H4Br2ClN3S — CID 107615031

IUPAC5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1cc(Nc2nnc(Br)s2)ccc1Br
InChIInChI=1S/C8H4Br2ClN3S/c9-5-2-1-4(3-6(5)11)12-8-14-13-7(10)15-8/h1-3H,(H,12,14)
InChIKeyCASDTUMCSKCWBA-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107615031) has the molecular formula C8H4Br2ClN3S and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID107615031
Molecular FormulaC8H4Br2ClN3S
Molecular Weight369.47 g/mol
Exact Mass366.82
IUPAC Name5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1cc(Nc2nnc(Br)s2)ccc1Br
InChIInChI=1S/C8H4Br2ClN3S/c9-5-2-1-4(3-6(5)11)12-8-14-13-7(10)15-8/h1-3H,(H,12,14)
InChIKeyCASDTUMCSKCWBA-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 64622828
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 64622843
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
5-bromo-N-(3,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64624289
5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64623490
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905
N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
CID 11134182
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine (CID 107615031) is 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine is Clc1cc(Nc2nnc(Br)s2)ccc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CASDTUMCSKCWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClN3S/c9-5-2-1-4(3-6(5)11)12-8-14-13-7(10)15-8/h1-3H,(H,12,14).
What are the key properties of 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 369.47 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107615031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).