2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol

C6H5N3OS — CID 123390332

IUPAC2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C6H5N3OS/c10-5-3-11-6(8-5)4-1-2-7-9-4/h1-3,10H,(H,7,9)
InChIKeyMFKMPGXAAKGVLE-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.24
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol

2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol (PubChem CID 123390332) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol
PubChem CID123390332
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccn[nH]2)n1
InChIInChI=1S/C6H5N3OS/c10-5-3-11-6(8-5)4-1-2-7-9-4/h1-3,10H,(H,7,9)
InChIKeyMFKMPGXAAKGVLE-UHFFFAOYSA-N
XLogP1.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol (CID 123390332) is 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol is Oc1csc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol?
The InChIKey is MFKMPGXAAKGVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c10-5-3-11-6(8-5)4-1-2-7-9-4/h1-3,10H,(H,7,9).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol?
2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol has a molecular weight of 167.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 123390332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).