2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

C15H18BrN5OS — CID 56527462

IUPAC2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C15H18BrN5OS/c16-11-4-6-12(7-5-11)23-10-13(22)17-14-18-15(20-19-14)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20,22)
InChIKeyTVRVDHOQBMDCHP-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 56527462) has the molecular formula C15H18BrN5OS and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID56527462
Molecular FormulaC15H18BrN5OS
Molecular Weight396.31 g/mol
Exact Mass395.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C15H18BrN5OS/c16-11-4-6-12(7-5-11)23-10-13(22)17-14-18-15(20-19-14)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20,22)
InChIKeyTVRVDHOQBMDCHP-UHFFFAOYSA-N
XLogP3.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527596
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
CID 56527542
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527383
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 112698671
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 56527543
4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56555561
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-methylpyrazole-3-carboxylic acid
CID 118322164
N-(4-bromophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60563882

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 56527462) is 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is TVRVDHOQBMDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5OS/c16-11-4-6-12(7-5-11)23-10-13(22)17-14-18-15(20-19-14)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 396.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 56527462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).