3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid

C10H10Cl2N4O2S — CID 107967102

IUPAC3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2N4O2S/c1-2-5(3-8(17)18)16-10(13-14-15-16)6-4-7(11)19-9(6)12/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyWZEPJVOAHRRQRX-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.13
Rot. Bonds5

About 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid

3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid (PubChem CID 107967102) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
PubChem CID107967102
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2N4O2S/c1-2-5(3-8(17)18)16-10(13-14-15-16)6-4-7(11)19-9(6)12/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyWZEPJVOAHRRQRX-UHFFFAOYSA-N
XLogP3.13
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
CID 114040580
3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
CID 102811524
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
CID 103028701
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 107967083
3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967114
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
3-[5-(2-bromofuran-3-yl)tetrazol-1-yl]-5,5-dimethylhexanoic acid
CID 106856440
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 107526441
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 81262400
3-[5-(2-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 79206504

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid (CID 107967102) is 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid is CCC(CC(=O)O)n1nnnc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid?
The InChIKey is WZEPJVOAHRRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c1-2-5(3-8(17)18)16-10(13-14-15-16)6-4-7(11)19-9(6)12/h4-5H,2-3H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid?
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid has a molecular weight of 321.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 107967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).