2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H12N4OS2 — CID 54885294

IUPAC2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSCc1cccs1)NCc1ncn[nH]1
InChIInChI=1S/C10H12N4OS2/c15-10(11-4-9-12-7-13-14-9)6-16-5-8-2-1-3-17-8/h1-3,7H,4-6H2,(H,11,15)(H,12,13,14)
InChIKeyMFBCAGYVPNSNEI-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.42
Rot. Bonds6

About 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54885294) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54885294
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSCc1cccs1)NCc1ncn[nH]1
InChIInChI=1S/C10H12N4OS2/c15-10(11-4-9-12-7-13-14-9)6-16-5-8-2-1-3-17-8/h1-3,7H,4-6H2,(H,11,15)(H,12,13,14)
InChIKeyMFBCAGYVPNSNEI-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiophen-2-ylmethylsulfanyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519144
2-[(4-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884995
2-(2-phenylethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883436
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 60982202
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 112691386
2-[4-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457665
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
4-methyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629831
2-hydroxy-2-methyl-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 66171992
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-ethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]butanoic acid
CID 115429786

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54885294) is 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CSCc1cccs1)NCc1ncn[nH]1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is MFBCAGYVPNSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c15-10(11-4-9-12-7-13-14-9)6-16-5-8-2-1-3-17-8/h1-3,7H,4-6H2,(H,11,15)(H,12,13,14).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 268.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54885294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).