2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C16H16N4OS — CID 158184747

IUPAC2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCCc1ccccc1C(=O)NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)16(21)17-10-14-18-15(20-19-14)13-8-5-9-22-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyFYZXVZLEZPPMME-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.03
Rot. Bonds5

About 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 158184747) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID158184747
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCCc1ccccc1C(=O)NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)16(21)17-10-14-18-15(20-19-14)13-8-5-9-22-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyFYZXVZLEZPPMME-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 158184747) is 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is CCc1ccccc1C(=O)NCc1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is FYZXVZLEZPPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)16(21)17-10-14-18-15(20-19-14)13-8-5-9-22-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 312.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 158184747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).