2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C15H14FN5OS — CID 856761

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccs1
InChIInChI=1S/C15H14FN5OS/c1-10(13-3-2-8-23-13)17-14(22)9-21-19-15(18-20-21)11-4-6-12(16)7-5-11/h2-8,10H,9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyOSJONFPALZKZSP-JTQLQIEISA-N
MW331.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 856761) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID856761
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccs1
InChIInChI=1S/C15H14FN5OS/c1-10(13-3-2-8-23-13)17-14(22)9-21-19-15(18-20-21)11-4-6-12(16)7-5-11/h2-8,10H,9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyOSJONFPALZKZSP-JTQLQIEISA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 856761) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is OSJONFPALZKZSP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FN5OS/c1-10(13-3-2-8-23-13)17-14(22)9-21-19-15(18-20-21)11-4-6-12(16)7-5-11/h2-8,10H,9H2,1H3,(H,17,22)/t10-/m0/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).