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

C13H14BrN5OS — CID 6466879

IUPACN-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1
InChIInChI=1S/C13H14BrN5OS/c1-19-12(8-2-3-8)17-18-13(19)21-7-11(20)16-10-5-4-9(14)6-15-10/h4-6,8H,2-3,7H2,1H3,(H,15,16,20)
InChIKeyMNWIOIUIJXVBFH-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.58
Rot. Bonds5

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

N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6466879) has the molecular formula C13H14BrN5OS and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6466879
Molecular FormulaC13H14BrN5OS
Molecular Weight368.26 g/mol
Exact Mass367.01
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1
InChIInChI=1S/C13H14BrN5OS/c1-19-12(8-2-3-8)17-18-13(19)21-7-11(20)16-10-5-4-9(14)6-15-10/h4-6,8H,2-3,7H2,1H3,(H,15,16,20)
InChIKeyMNWIOIUIJXVBFH-UHFFFAOYSA-N
XLogP2.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6466879) is N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MNWIOIUIJXVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5OS/c1-19-12(8-2-3-8)17-18-13(19)21-7-11(20)16-10-5-4-9(14)6-15-10/h4-6,8H,2-3,7H2,1H3,(H,15,16,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 368.26 g/mol, XLogP of 2.58, 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-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6466879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).