2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid

C10H12N4O2S — CID 79818413

IUPAC2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cscc1-c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-6-4-17-5-7(6)8-11-12-13-14(8)10(2,3)9(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyFUFIUFDMPOIMNZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 79818413) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID79818413
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cscc1-c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-6-4-17-5-7(6)8-11-12-13-14(8)10(2,3)9(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyFUFIUFDMPOIMNZ-UHFFFAOYSA-N
XLogP1.53
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid (CID 79818413) is 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid is Cc1cscc1-c1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is FUFIUFDMPOIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-4-17-5-7(6)8-11-12-13-14(8)10(2,3)9(15)16/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 79818413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).