5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole

C18H13N3O2S2 — CID 1476736

IUPAC5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,15-9-5-2-6-10-15)21-12-11-16(20-21)17-13-19-18(24-17)14-7-3-1-4-8-14/h1-13H
InChIKeyZZZPZDFBUDZIOU-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.91
Rot. Bonds4

About 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole

5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 1476736) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID1476736
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,15-9-5-2-6-10-15)21-12-11-16(20-21)17-13-19-18(24-17)14-7-3-1-4-8-14/h1-13H
InChIKeyZZZPZDFBUDZIOU-UHFFFAOYSA-N
XLogP3.91
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 1476736) is 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole is O=S(=O)(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is ZZZPZDFBUDZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-25(23,15-9-5-2-6-10-15)21-12-11-16(20-21)17-13-19-18(24-17)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole?
5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 367.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)pyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).