2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

C16H19N5O2S2 — CID 86979893

IUPAC2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCn1c(SCC(=O)N(C)Cc2cc(C)on2)nnc1-c1cccs1
InChIInChI=1S/C16H19N5O2S2/c1-4-21-15(13-6-5-7-24-13)17-18-16(21)25-10-14(22)20(3)9-12-8-11(2)23-19-12/h5-8H,4,9-10H2,1-3H3
InChIKeyBAFUNKLSXQGPNC-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.07
Rot. Bonds7

About 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 86979893) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID86979893
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCn1c(SCC(=O)N(C)Cc2cc(C)on2)nnc1-c1cccs1
InChIInChI=1S/C16H19N5O2S2/c1-4-21-15(13-6-5-7-24-13)17-18-16(21)25-10-14(22)20(3)9-12-8-11(2)23-19-12/h5-8H,4,9-10H2,1-3H3
InChIKeyBAFUNKLSXQGPNC-UHFFFAOYSA-N
XLogP3.07
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30317114
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 8521867
N-benzyl-N-ethyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55304463
N-ethyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2586522
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 3369409
N-[(4-ethylphenyl)methyl]-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24559270
N-methyl-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 55399507
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8644788
3-(N-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide
CID 37284481
1-(3,4-dihydroxyphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 71905403
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 2704496
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929156

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (CID 86979893) is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is CCn1c(SCC(=O)N(C)Cc2cc(C)on2)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is BAFUNKLSXQGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-4-21-15(13-6-5-7-24-13)17-18-16(21)25-10-14(22)20(3)9-12-8-11(2)23-19-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 377.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 86979893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).