5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide

C16H15FN4OS — CID 100687863

IUPAC5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]nc1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H15FN4OS/c1-2-12(13-4-3-9-23-13)18-16(22)15-14(19-21-20-15)10-5-7-11(17)8-6-10/h3-9,12H,2H2,1H3,(H,18,22)(H,19,20,21)/t12-/m0/s1
InChIKeyFPQUSNBQXIACDZ-LBPRGKRZSA-N
MW330.39 g/mol
LogP3.55
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide (PubChem CID 100687863) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide
PubChem CID100687863
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]nc1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H15FN4OS/c1-2-12(13-4-3-9-23-13)18-16(22)15-14(19-21-20-15)10-5-7-11(17)8-6-10/h3-9,12H,2H2,1H3,(H,18,22)(H,19,20,21)/t12-/m0/s1
InChIKeyFPQUSNBQXIACDZ-LBPRGKRZSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide (CID 100687863) is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide is CC[C@H](NC(=O)c1n[nH]nc1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide?
The InChIKey is FPQUSNBQXIACDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-2-12(13-4-3-9-23-13)18-16(22)15-14(19-21-20-15)10-5-7-11(17)8-6-10/h3-9,12H,2H2,1H3,(H,18,22)(H,19,20,21)/t12-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylpropyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 100687863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).