N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H12BrN5OS — CID 1303187

IUPACN-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H12BrN5OS/c16-11-6-7-13(17-8-11)19-14(22)9-23-15-18-10-21(20-15)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,17,19,22)
InChIKeyQQRNAUQJVACKAB-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.16
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1303187) has the molecular formula C15H12BrN5OS and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1303187
Molecular FormulaC15H12BrN5OS
Molecular Weight390.27 g/mol
Exact Mass388.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H12BrN5OS/c16-11-6-7-13(17-8-11)19-14(22)9-23-15-18-10-21(20-15)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,17,19,22)
InChIKeyQQRNAUQJVACKAB-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
N-(3-methylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863993
N-(3,5-dibromopyridin-2-yl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
CID 1249193
n-[4-(5-Amino-1-pyridin-2-yl-1h-[1,2,4]triazol-3-ylamino)-phenyl]-acetamide
CID 56593834
N-(2-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 5193287
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 651481
2-((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 662316
N-(5-chloropyridin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 974456
N-(5-bromopyridin-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1954884
N-(4-bromophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2195942
N-(5-bromopyridin-2-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6465613
N-(5-bromopyridin-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466879

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1303187) is N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QQRNAUQJVACKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5OS/c16-11-6-7-13(17-8-11)19-14(22)9-23-15-18-10-21(20-15)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,17,19,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1303187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).