4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide

C11H10BrN3OS — CID 100750357

IUPAC4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3OS/c1-2-13-11(16)10-9(14-15-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,16)
InChIKeyHQNWVCJLUUEQHM-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.72
Rot. Bonds3

About 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide

4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide (PubChem CID 100750357) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
PubChem CID100750357
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3OS/c1-2-13-11(16)10-9(14-15-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,16)
InChIKeyHQNWVCJLUUEQHM-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
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
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
4-(4-bromophenyl)-N-[2-(cyclohexen-1-yl)ethyl]thiadiazole-5-carboxamide
CID 100750432
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide (CID 100750357) is 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide is CCNC(=O)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide?
The InChIKey is HQNWVCJLUUEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-2-13-11(16)10-9(14-15-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,16).
What are the key properties of 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 100750357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).