N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H15Cl2N5O2S — CID 2089978

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-n1cnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O2S/c1-10-11(18)7-12(19)16(21-10)22-15(25)8-27-17-23-20-9-24(17)13-5-3-4-6-14(13)26-2/h3-7,9H,8H2,1-2H3,(H,21,22,25)
InChIKeyTYRZKAFFARHWFF-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.02
Rot. Bonds6

About N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2089978) has the molecular formula C17H15Cl2N5O2S and a molecular weight of 424.31 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2089978
Molecular FormulaC17H15Cl2N5O2S
Molecular Weight424.31 g/mol
Exact Mass423.03
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-n1cnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O2S/c1-10-11(18)7-12(19)16(21-10)22-15(25)8-27-17-23-20-9-24(17)13-5-3-4-6-14(13)26-2/h3-7,9H,8H2,1-2H3,(H,21,22,25)
InChIKeyTYRZKAFFARHWFF-UHFFFAOYSA-N
XLogP4.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2089978) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1ccccc1-n1cnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is TYRZKAFFARHWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2S/c1-10-11(18)7-12(19)16(21-10)22-15(25)8-27-17-23-20-9-24(17)13-5-3-4-6-14(13)26-2/h3-7,9H,8H2,1-2H3,(H,21,22,25).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 424.31 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2089978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).