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

C34H34N8S3 — CID 135250741

IUPAC2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cn4)nc(-c4ccc(C5=NC(C)(C)CS5)cn4)n3)nc2)=N1
InChIInChI=1S/C34H34N8S3/c1-32(2)17-43-29(40-32)20-7-10-23(35-14-20)26-13-27(24-11-8-21(15-36-24)30-41-33(3,4)18-44-30)39-28(38-26)25-12-9-22(16-37-25)31-42-34(5,6)19-45-31/h7-16H,17-19H2,1-6H3
InChIKeyMPWJVJLUPFIKQH-UHFFFAOYSA-N
MW650.90 g/mol
LogP7.48
Rot. Bonds6

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

2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (PubChem CID 135250741) has the molecular formula C34H34N8S3 and a molecular weight of 650.90 g/mol. Its IUPAC name is 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
PubChem CID135250741
Molecular FormulaC34H34N8S3
Molecular Weight650.90 g/mol
Exact Mass650.21
IUPAC Name2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cn4)nc(-c4ccc(C5=NC(C)(C)CS5)cn4)n3)nc2)=N1
InChIInChI=1S/C34H34N8S3/c1-32(2)17-43-29(40-32)20-7-10-23(35-14-20)26-13-27(24-11-8-21(15-36-24)30-41-33(3,4)18-44-30)39-28(38-26)25-12-9-22(16-37-25)31-42-34(5,6)19-45-31/h7-16H,17-19H2,1-6H3
InChIKeyMPWJVJLUPFIKQH-UHFFFAOYSA-N
XLogP7.48
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.90
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole (CID 135250741) is 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cn4)nc(-c4ccc(C5=NC(C)(C)CS5)cn4)n3)nc2)=N1.
What is the InChIKey of 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
The InChIKey is MPWJVJLUPFIKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8S3/c1-32(2)17-43-29(40-32)20-7-10-23(35-14-20)26-13-27(24-11-8-21(15-36-24)30-41-33(3,4)18-44-30)39-28(38-26)25-12-9-22(16-37-25)31-42-34(5,6)19-45-31/h7-16H,17-19H2,1-6H3.
What are the key properties of 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole?
2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole has a molecular weight of 650.90 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 135250741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).