5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole

C19H15N3S — CID 1476747

IUPAC5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole
SMILESc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C19H15N3S/c1-3-7-15(8-4-1)14-22-12-11-17(21-22)18-13-20-19(23-18)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyYBGHYHKRKJSQHV-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.72
Rot. Bonds4

About 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole

5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole (PubChem CID 1476747) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole
PubChem CID1476747
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole
SMILESc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C19H15N3S/c1-3-7-15(8-4-1)14-22-12-11-17(21-22)18-13-20-19(23-18)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyYBGHYHKRKJSQHV-UHFFFAOYSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The IUPAC name of 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole (CID 1476747) is 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole is c1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The InChIKey is YBGHYHKRKJSQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-3-7-15(8-4-1)14-22-12-11-17(21-22)18-13-20-19(23-18)16-9-5-2-6-10-16/h1-13H,14H2.
What are the key properties of 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole has a molecular weight of 317.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-3-yl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).