N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

C15H15N5OS — CID 92577329

IUPACN-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@@H](Cc1ccsc1)c1ccccn1
InChIInChI=1S/C15H15N5OS/c21-15(8-20-11-16-10-18-20)19-14(7-12-4-6-22-9-12)13-3-1-2-5-17-13/h1-6,9-11,14H,7-8H2,(H,19,21)/t14-/m0/s1
InChIKeyZAHSKKWABQONDG-AWEZNQCLSA-N
MW313.39 g/mol
LogP1.83
Rot. Bonds6

About N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 92577329) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID92577329
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@@H](Cc1ccsc1)c1ccccn1
InChIInChI=1S/C15H15N5OS/c21-15(8-20-11-16-10-18-20)19-14(7-12-4-6-22-9-12)13-3-1-2-5-17-13/h1-6,9-11,14H,7-8H2,(H,19,21)/t14-/m0/s1
InChIKeyZAHSKKWABQONDG-AWEZNQCLSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 92577329) is N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N[C@@H](Cc1ccsc1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZAHSKKWABQONDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(8-20-11-16-10-18-20)19-14(7-12-4-6-22-9-12)13-3-1-2-5-17-13/h1-6,9-11,14H,7-8H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 92577329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).