2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C20H18N6OS — CID 71005846

IUPAC2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cncc2cccnc12
InChIInChI=1S/C20H18N6OS/c1-2-26-19(16-12-21-11-14-7-6-10-22-18(14)16)24-25-20(26)28-13-17(27)23-15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,23,27)
InChIKeyWRRMLXBBXAODJI-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.64
Rot. Bonds6

About 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 71005846) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID71005846
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cncc2cccnc12
InChIInChI=1S/C20H18N6OS/c1-2-26-19(16-12-21-11-14-7-6-10-22-18(14)16)24-25-20(26)28-13-17(27)23-15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,23,27)
InChIKeyWRRMLXBBXAODJI-UHFFFAOYSA-N
XLogP3.64
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide with MolForge

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Related Compounds

2-[[5-(3-acetyl-4-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71006280
2-[[4-ethyl-5-(1,6-naphthyridin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71005983
2-[[5-[5-chloro-2-(hydroxymethyl)-4-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 90366613
2-[[4-ethyl-5-(6-isocyano-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 123607885
2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71006646
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1301033
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
2-[[4-ethyl-5-(5-nitro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71005994
2-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 4240453
2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 137058481
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethynylphenyl)acetamide
CID 126626347
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 137058507

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 71005846) is 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cncc2cccnc12.
What is the InChIKey of 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is WRRMLXBBXAODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-2-26-19(16-12-21-11-14-7-6-10-22-18(14)16)24-25-20(26)28-13-17(27)23-15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,23,27).
What are the key properties of 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 390.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(1,6-naphthyridin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 71005846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).