4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol

C10H9N7OS2 — CID 62187551

IUPAC4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESNc1snnc1CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H9N7OS2/c11-9-8(12-16-20-9)5-19-10-13-14-15-17(10)6-1-3-7(18)4-2-6/h1-4,18H,5,11H2
InChIKeyIKGANERNGZLPDR-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.09
Rot. Bonds4

About 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 62187551) has the molecular formula C10H9N7OS2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID62187551
Molecular FormulaC10H9N7OS2
Molecular Weight307.36 g/mol
Exact Mass307.03
IUPAC Name4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESNc1snnc1CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H9N7OS2/c11-9-8(12-16-20-9)5-19-10-13-14-15-17(10)6-1-3-7(18)4-2-6/h1-4,18H,5,11H2
InChIKeyIKGANERNGZLPDR-UHFFFAOYSA-N
XLogP1.09
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
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4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
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4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
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CID 115872263
4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 71848212
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol (CID 62187551) is 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol is Nc1snnc1CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is IKGANERNGZLPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7OS2/c11-9-8(12-16-20-9)5-19-10-13-14-15-17(10)6-1-3-7(18)4-2-6/h1-4,18H,5,11H2.
What are the key properties of 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 307.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 62187551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).