2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol

C10H8N4OS — CID 91157825

IUPAC2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol
SMILESOc1ccccc1Nc1nc2[nH]ncc2s1
InChIInChI=1S/C10H8N4OS/c15-7-4-2-1-3-6(7)12-10-13-9-8(16-10)5-11-14-9/h1-5,15H,(H2,11,12,13,14)
InChIKeyDQEUAEYTRQNWDN-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.47
Rot. Bonds2

About 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol

2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol (PubChem CID 91157825) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol.

Molecular Properties

Compound Name2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol
PubChem CID91157825
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol
SMILESOc1ccccc1Nc1nc2[nH]ncc2s1
InChIInChI=1S/C10H8N4OS/c15-7-4-2-1-3-6(7)12-10-13-9-8(16-10)5-11-14-9/h1-5,15H,(H2,11,12,13,14)
InChIKeyDQEUAEYTRQNWDN-UHFFFAOYSA-N
XLogP2.47
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol?
The IUPAC name of 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol (CID 91157825) is 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol.
What is the SMILES notation for 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol?
The canonical SMILES for 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol is Oc1ccccc1Nc1nc2[nH]ncc2s1.
What is the InChIKey of 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol?
The InChIKey is DQEUAEYTRQNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-7-4-2-1-3-6(7)12-10-13-9-8(16-10)5-11-14-9/h1-5,15H,(H2,11,12,13,14).
What are the key properties of 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol?
2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol has a molecular weight of 232.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazolo[5,4-d][1,3]thiazol-5-ylamino)phenol is sourced from PubChem (CID 91157825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).