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

C10H10ClN5OS — CID 672455

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN5OS/c1-16-6-13-15-10(16)18-5-9(17)14-8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,12,14,17)
InChIKeyPEUJAACOTUEZCP-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.59
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 672455) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID672455
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN5OS/c1-16-6-13-15-10(16)18-5-9(17)14-8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,12,14,17)
InChIKeyPEUJAACOTUEZCP-UHFFFAOYSA-N
XLogP1.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 672455) is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PEUJAACOTUEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-16-6-13-15-10(16)18-5-9(17)14-8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,12,14,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 283.74 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 672455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).