4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole

C18H12N4S — CID 59252432

IUPAC4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3csc(-c4cccnc4)n3)cn2)cc1
InChIInChI=1S/C18H12N4S/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-7-4-8-19-9-14/h1-12H
InChIKeyJHVOISNYBCMFRS-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.33
Rot. Bonds3

About 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole

4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 59252432) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID59252432
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3csc(-c4cccnc4)n3)cn2)cc1
InChIInChI=1S/C18H12N4S/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-7-4-8-19-9-14/h1-12H
InChIKeyJHVOISNYBCMFRS-UHFFFAOYSA-N
XLogP4.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole (CID 59252432) is 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole is c1ccc(-c2ncc(-c3csc(-c4cccnc4)n3)cn2)cc1.
What is the InChIKey of 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is JHVOISNYBCMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-7-4-8-19-9-14/h1-12H.
What are the key properties of 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 316.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 59252432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).