2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid

C9H12N6O2S — CID 66041566

IUPAC2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid
SMILESCC(C)(C)c1nnsc1-c1nnnn1CC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-9(2,3)7-6(18-14-10-7)8-11-12-13-15(8)4-5(16)17/h4H2,1-3H3,(H,16,17)
InChIKeyFRTCRBXYHFSYSV-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.57
Rot. Bonds3

About 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid

2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid (PubChem CID 66041566) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid
PubChem CID66041566
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid
SMILESCC(C)(C)c1nnsc1-c1nnnn1CC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-9(2,3)7-6(18-14-10-7)8-11-12-13-15(8)4-5(16)17/h4H2,1-3H3,(H,16,17)
InChIKeyFRTCRBXYHFSYSV-UHFFFAOYSA-N
XLogP0.57
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid (CID 66041566) is 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid is CC(C)(C)c1nnsc1-c1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid?
The InChIKey is FRTCRBXYHFSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-9(2,3)7-6(18-14-10-7)8-11-12-13-15(8)4-5(16)17/h4H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid?
2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid has a molecular weight of 268.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylthiadiazol-5-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66041566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).