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

C9H5BrClN3OS — CID 80625889

IUPACN-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1nnc(Cl)s1
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H,12,15)
InChIKeyGJPQEFMSEZKYRQ-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.21
Rot. Bonds2

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

N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625889) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625889
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC NameN-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1nnc(Cl)s1
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H,12,15)
InChIKeyGJPQEFMSEZKYRQ-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625452
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-chloro-N-[4-(prop-2-enylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617648
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80625889) is N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1nnc(Cl)s1.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GJPQEFMSEZKYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H,12,15).
What are the key properties of N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 318.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).