3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole

C16H12N4O3S2 — CID 2745762

IUPAC3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3ccccc3)cs2)no1
InChIInChI=1S/C16H12N4O3S2/c1-11-9-13(19-23-11)16-18-14(10-24-16)15-7-8-17-20(15)25(21,22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCDEDQFSLDYREPR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.21
Rot. Bonds4

About 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole

3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 2745762) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID2745762
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC Name3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3ccccc3)cs2)no1
InChIInChI=1S/C16H12N4O3S2/c1-11-9-13(19-23-11)16-18-14(10-24-16)15-7-8-17-20(15)25(21,22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCDEDQFSLDYREPR-UHFFFAOYSA-N
XLogP3.21
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (CID 2745762) is 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3ccccc3)cs2)no1.
What is the InChIKey of 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is CDEDQFSLDYREPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c1-11-9-13(19-23-11)16-18-14(10-24-16)15-7-8-17-20(15)25(21,22)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 372.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 2745762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).