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

C12H16N4OS2 — CID 71856442

IUPACN-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccsc1CNC(=O)CSc1n[nH]c(C)n1
InChIInChI=1S/C12H16N4OS2/c1-3-9-4-5-18-10(9)6-13-11(17)7-19-12-14-8(2)15-16-12/h4-5H,3,6-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyMOCPWGRQAPZDGG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.15
Rot. Bonds6

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

N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 71856442) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID71856442
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccsc1CNC(=O)CSc1n[nH]c(C)n1
InChIInChI=1S/C12H16N4OS2/c1-3-9-4-5-18-10(9)6-13-11(17)7-19-12-14-8(2)15-16-12/h4-5H,3,6-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyMOCPWGRQAPZDGG-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-ethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18140067
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 122564351
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131928986
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutyl)acetamide
CID 35814934
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91785409
N-ethyl-3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42115923
N-benzyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901344
N-[(2-methylphenyl)methyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607594
N-[(2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16536463
N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 9019438

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 71856442) is N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1ccsc1CNC(=O)CSc1n[nH]c(C)n1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MOCPWGRQAPZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-3-9-4-5-18-10(9)6-13-11(17)7-19-12-14-8(2)15-16-12/h4-5H,3,6-7H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 296.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 71856442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).