5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide

C9H4Br2ClN3OS — CID 80626097

IUPAC5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1nnc(Cl)s1
InChIInChI=1S/C9H4Br2ClN3OS/c10-4-1-2-6(5(11)3-4)13-7(16)8-14-15-9(12)17-8/h1-3H,(H,13,16)
InChIKeyFXRQZAVKQFJCHW-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.97
Rot. Bonds2

About 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80626097) has the molecular formula C9H4Br2ClN3OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80626097
Molecular FormulaC9H4Br2ClN3OS
Molecular Weight397.48 g/mol
Exact Mass394.81
IUPAC Name5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1nnc(Cl)s1
InChIInChI=1S/C9H4Br2ClN3OS/c10-4-1-2-6(5(11)3-4)13-7(16)8-14-15-9(12)17-8/h1-3H,(H,13,16)
InChIKeyFXRQZAVKQFJCHW-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
5-chloro-N-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625696
3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369359
6-amino-N-(2,4-dibromophenyl)pyridazine-3-carboxamide
CID 62187350
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80626097) is 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(Br)cc1Br)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FXRQZAVKQFJCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2ClN3OS/c10-4-1-2-6(5(11)3-4)13-7(16)8-14-15-9(12)17-8/h1-3H,(H,13,16).
What are the key properties of 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80626097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).