6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C16H14BrN5OS — CID 133328992

IUPAC6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5OS/c1-10(11-2-5-13(17)6-3-11)20-14-7-4-12(8-18-14)15(23)21-16-22-19-9-24-16/h2-10H,1H3,(H,18,20)(H,21,22,23)
InChIKeyBDXWEQFZRDHQGW-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.12
Rot. Bonds5

About 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133328992) has the molecular formula C16H14BrN5OS and a molecular weight of 404.29 g/mol. Its IUPAC name is 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133328992
Molecular FormulaC16H14BrN5OS
Molecular Weight404.29 g/mol
Exact Mass403.01
IUPAC Name6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5OS/c1-10(11-2-5-13(17)6-3-11)20-14-7-4-12(8-18-14)15(23)21-16-22-19-9-24-16/h2-10H,1H3,(H,18,20)(H,21,22,23)
InChIKeyBDXWEQFZRDHQGW-UHFFFAOYSA-N
XLogP4.12
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329302
6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133380786
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133477193

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133328992) is 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Br)cc1.
What is the InChIKey of 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is BDXWEQFZRDHQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5OS/c1-10(11-2-5-13(17)6-3-11)20-14-7-4-12(8-18-14)15(23)21-16-22-19-9-24-16/h2-10H,1H3,(H,18,20)(H,21,22,23).
What are the key properties of 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 404.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133328992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).