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

C10H7BrClN3OS — CID 80625575

IUPACN-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H7BrClN3OS/c1-5-4-6(11)2-3-7(5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16)
InChIKeyOKRJEQJQYGUQIJ-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.51
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625575) has the molecular formula C10H7BrClN3OS and a molecular weight of 332.61 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625575
Molecular FormulaC10H7BrClN3OS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC NameN-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H7BrClN3OS/c1-5-4-6(11)2-3-7(5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16)
InChIKeyOKRJEQJQYGUQIJ-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
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-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678
5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80625575) is N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OKRJEQJQYGUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3OS/c1-5-4-6(11)2-3-7(5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 332.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).