4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole

C22H16N4S — CID 46236835

IUPAC4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H16N4S/c1-15-21(27-22(23-15)17-10-6-3-7-11-17)18-12-13-26-20(24-18)14-19(25-26)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyRJLNEGDEKYRMQC-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.50
Rot. Bonds3

About 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole

4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole (PubChem CID 46236835) has the molecular formula C22H16N4S and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
PubChem CID46236835
Molecular FormulaC22H16N4S
Molecular Weight368.47 g/mol
Exact Mass368.11
IUPAC Name4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H16N4S/c1-15-21(27-22(23-15)17-10-6-3-7-11-17)18-12-13-26-20(24-18)14-19(25-26)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyRJLNEGDEKYRMQC-UHFFFAOYSA-N
XLogP5.50
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole (CID 46236835) is 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1ccn2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The InChIKey is RJLNEGDEKYRMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4S/c1-15-21(27-22(23-15)17-10-6-3-7-11-17)18-12-13-26-20(24-18)14-19(25-26)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole has a molecular weight of 368.47 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole is sourced from PubChem (CID 46236835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).