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

C17H13BrN4O2S — CID 100750993

IUPACN-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrN4O2S/c1-10(23)19-13-6-8-14(9-7-13)20-17(24)16-15(21-22-25-16)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,23)(H,20,24)
InChIKeyAVICWWXBIGAILR-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.18
Rot. Bonds4

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

N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide (PubChem CID 100750993) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
PubChem CID100750993
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC NameN-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrN4O2S/c1-10(23)19-13-6-8-14(9-7-13)20-17(24)16-15(21-22-25-16)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,23)(H,20,24)
InChIKeyAVICWWXBIGAILR-UHFFFAOYSA-N
XLogP4.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
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
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide (CID 100750993) is N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide?
The InChIKey is AVICWWXBIGAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/c1-10(23)19-13-6-8-14(9-7-13)20-17(24)16-15(21-22-25-16)11-2-4-12(18)5-3-11/h2-9H,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide?
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide has a molecular weight of 417.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).