N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

C13H11FN6OS — CID 122139551

IUPACN-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C13H11FN6OS/c14-10-4-2-1-3-9(10)11-7-22-13(17-11)5-15-12(21)6-20-8-16-18-19-20/h1-4,7-8H,5-6H2,(H,15,21)
InChIKeyAHRDFIPMYHDPOG-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.25
Rot. Bonds5

About N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 122139551) has the molecular formula C13H11FN6OS and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID122139551
Molecular FormulaC13H11FN6OS
Molecular Weight318.34 g/mol
Exact Mass318.07
IUPAC NameN-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C13H11FN6OS/c14-10-4-2-1-3-9(10)11-7-22-13(17-11)5-15-12(21)6-20-8-16-18-19-20/h1-4,7-8H,5-6H2,(H,15,21)
InChIKeyAHRDFIPMYHDPOG-UHFFFAOYSA-N
XLogP1.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 122139551) is N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCc1nc(-c2ccccc2F)cs1.
What is the InChIKey of N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AHRDFIPMYHDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6OS/c14-10-4-2-1-3-9(10)11-7-22-13(17-11)5-15-12(21)6-20-8-16-18-19-20/h1-4,7-8H,5-6H2,(H,15,21).
What are the key properties of N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 122139551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).