2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole

C30H28N6S2 — CID 135250510

IUPAC2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1
InChIInChI=1S/C30H28N6S2/c1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h5-16H,17-18H2,1-4H3
InChIKeyYQEORGPFXFBTCA-UHFFFAOYSA-N
MW536.73 g/mol
LogP6.81
Rot. Bonds5

About 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole

2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (PubChem CID 135250510) has the molecular formula C30H28N6S2 and a molecular weight of 536.73 g/mol. Its IUPAC name is 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
PubChem CID135250510
Molecular FormulaC30H28N6S2
Molecular Weight536.73 g/mol
Exact Mass536.18
IUPAC Name2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1
InChIInChI=1S/C30H28N6S2/c1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h5-16H,17-18H2,1-4H3
InChIKeyYQEORGPFXFBTCA-UHFFFAOYSA-N
XLogP6.81
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.73
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole with MolForge

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Related Compounds

2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250718
4,4-dimethyl-2-[5-[3,6,8-tris[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-5H-1,3-thiazole
CID 135250843
2-[5-[3-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250102
4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796908
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611
4-methyl-2-phenyl-6-(5-phenyl-2-pyridinyl)pyrimidine
CID 146568405
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
CID 145132508
CID 145132508
2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine
CID 144785231

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (CID 135250510) is 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1.
What is the InChIKey of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The InChIKey is YQEORGPFXFBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6S2/c1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h5-16H,17-18H2,1-4H3.
What are the key properties of 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole has a molecular weight of 536.73 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 135250510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).