4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide

C19H18BrN3OS — CID 133200560

IUPAC4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3OS/c1-13(7-8-14-5-3-2-4-6-14)21-19(24)18-17(22-23-25-18)15-9-11-16(20)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,21,24)
InChIKeyOGZIARFBJPBUCD-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.72
Rot. Bonds6

About 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide (PubChem CID 133200560) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
PubChem CID133200560
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC Name4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3OS/c1-13(7-8-14-5-3-2-4-6-14)21-19(24)18-17(22-23-25-18)15-9-11-16(20)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,21,24)
InChIKeyOGZIARFBJPBUCD-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
methyl (2R)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate
CID 71844012
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide (CID 133200560) is 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide is CC(CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is OGZIARFBJPBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c1-13(7-8-14-5-3-2-4-6-14)21-19(24)18-17(22-23-25-18)15-9-11-16(20)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,21,24).
What are the key properties of 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 416.34 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 133200560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).