N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

C11H11N5O2S — CID 728063

IUPACN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESNc1nc(SCC(=O)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H11N5O2S/c12-10-14-11(16-15-10)19-6-8(17)13-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17,18)(H3,12,14,15,16)
InChIKeyQYLHMSQYEVTJRU-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.44
Rot. Bonds4

About N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (PubChem CID 728063) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
PubChem CID728063
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESNc1nc(SCC(=O)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H11N5O2S/c12-10-14-11(16-15-10)19-6-8(17)13-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17,18)(H3,12,14,15,16)
InChIKeyQYLHMSQYEVTJRU-UHFFFAOYSA-N
XLogP0.44
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-acetyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 130735027
N-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide
CID 7896619
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2339861
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 9019438
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 8010924
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 34227623
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylbenzamide
CID 20597401
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7704690
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 718880
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3303284
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 7604132
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3630417

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (CID 728063) is N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is Nc1nc(SCC(=O)NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The InChIKey is QYLHMSQYEVTJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-10-14-11(16-15-10)19-6-8(17)13-9(18)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17,18)(H3,12,14,15,16).
What are the key properties of N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide has a molecular weight of 277.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 728063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).