4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide

C16H11BrN4O2S — CID 100750972

IUPAC4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H11BrN4O2S/c17-11-5-1-9(2-6-11)13-14(24-21-20-13)16(23)19-12-7-3-10(4-8-12)15(18)22/h1-8H,(H2,18,22)(H,19,23)
InChIKeyUQXRVNCZMFTHEC-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.32
Rot. Bonds4

About 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide (PubChem CID 100750972) has the molecular formula C16H11BrN4O2S and a molecular weight of 403.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
PubChem CID100750972
Molecular FormulaC16H11BrN4O2S
Molecular Weight403.26 g/mol
Exact Mass401.98
IUPAC Name4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H11BrN4O2S/c17-11-5-1-9(2-6-11)13-14(24-21-20-13)16(23)19-12-7-3-10(4-8-12)15(18)22/h1-8H,(H2,18,22)(H,19,23)
InChIKeyUQXRVNCZMFTHEC-UHFFFAOYSA-N
XLogP3.32
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide (CID 100750972) is 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide?
The InChIKey is UQXRVNCZMFTHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2S/c17-11-5-1-9(2-6-11)13-14(24-21-20-13)16(23)19-12-7-3-10(4-8-12)15(18)22/h1-8H,(H2,18,22)(H,19,23).
What are the key properties of 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide has a molecular weight of 403.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).