2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C15H14FN5OS — CID 51096564

IUPAC2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(-c2nnn(CC(=O)NCc3cccs3)n2)ccc1F
InChIInChI=1S/C15H14FN5OS/c1-10-7-11(4-5-13(10)16)15-18-20-21(19-15)9-14(22)17-8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,17,22)
InChIKeyVTJQPRORMAJTFX-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.17
Rot. Bonds5

About 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51096564) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51096564
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(-c2nnn(CC(=O)NCc3cccs3)n2)ccc1F
InChIInChI=1S/C15H14FN5OS/c1-10-7-11(4-5-13(10)16)15-18-20-21(19-15)9-14(22)17-8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,17,22)
InChIKeyVTJQPRORMAJTFX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
methyl 4-[[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetyl]amino]butanoate
CID 51096573
3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 860036
ethyl 4-[[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetyl]amino]butanoate
CID 60599335
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
CID 166200587
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9462455
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
CID 51096590
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 51096564) is 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(-c2nnn(CC(=O)NCc3cccs3)n2)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VTJQPRORMAJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS/c1-10-7-11(4-5-13(10)16)15-18-20-21(19-15)9-14(22)17-8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,17,22).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51096564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).