4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide

C17H13BrClN3OS — CID 133200562

IUPAC4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
SMILESCC(NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3OS/c1-10(11-4-8-14(19)9-5-11)20-17(23)16-15(21-22-24-16)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,23)
InChIKeyUBNIUSMJRPYKDM-UHFFFAOYSA-N
MW422.74 g/mol
LogP5.11
Rot. Bonds4

About 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 133200562) has the molecular formula C17H13BrClN3OS and a molecular weight of 422.74 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
PubChem CID133200562
Molecular FormulaC17H13BrClN3OS
Molecular Weight422.74 g/mol
Exact Mass420.97
IUPAC Name4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
SMILESCC(NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3OS/c1-10(11-4-8-14(19)9-5-11)20-17(23)16-15(21-22-24-16)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,23)
InChIKeyUBNIUSMJRPYKDM-UHFFFAOYSA-N
XLogP5.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
CID 70903593
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide (CID 133200562) is 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide is CC(NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is UBNIUSMJRPYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3OS/c1-10(11-4-8-14(19)9-5-11)20-17(23)16-15(21-22-24-16)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,23).
What are the key properties of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 422.74 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 133200562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).