[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C15H11F2N5O3S — CID 8677564

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(COC(=O)Cn1nnc(-c2ccsc2)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N5O3S/c16-10-1-2-12(11(17)5-10)18-13(23)7-25-14(24)6-22-20-15(19-21-22)9-3-4-26-8-9/h1-5,8H,6-7H2,(H,18,23)
InChIKeyPEPXHHGXXMHLKV-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.86
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677564) has the molecular formula C15H11F2N5O3S and a molecular weight of 379.35 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677564
Molecular FormulaC15H11F2N5O3S
Molecular Weight379.35 g/mol
Exact Mass379.06
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(COC(=O)Cn1nnc(-c2ccsc2)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N5O3S/c16-10-1-2-12(11(17)5-10)18-13(23)7-25-14(24)6-22-20-15(19-21-22)9-3-4-26-8-9/h1-5,8H,6-7H2,(H,18,23)
InChIKeyPEPXHHGXXMHLKV-UHFFFAOYSA-N
XLogP1.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677562
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677472
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677773
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128153
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677564) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is O=C(COC(=O)Cn1nnc(-c2ccsc2)n1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is PEPXHHGXXMHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O3S/c16-10-1-2-12(11(17)5-10)18-13(23)7-25-14(24)6-22-20-15(19-21-22)9-3-4-26-8-9/h1-5,8H,6-7H2,(H,18,23).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 379.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).