4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid

C10H12N4O2S — CID 79818570

IUPAC4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cscc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C10H12N4O2S/c1-7-5-17-6-8(7)10-11-12-13-14(10)4-2-3-9(15)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyIINWJNJJGBFLPV-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.57
Rot. Bonds5

About 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid

4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 79818570) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID79818570
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cscc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C10H12N4O2S/c1-7-5-17-6-8(7)10-11-12-13-14(10)4-2-3-9(15)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyIINWJNJJGBFLPV-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid (CID 79818570) is 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid is Cc1cscc1-c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is IINWJNJJGBFLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-5-17-6-8(7)10-11-12-13-14(10)4-2-3-9(15)16/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79818570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).