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

C40H46N8S3 — CID 135250768

IUPAC2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C
InChIInChI=1S/C40H46N8S3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3
InChIKeyYWFDJZFXWGDNRV-UHFFFAOYSA-N
MW735.07 g/mol
LogP9.81
Rot. Bonds6

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

2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (PubChem CID 135250768) has the molecular formula C40H46N8S3 and a molecular weight of 735.07 g/mol. Its IUPAC name is 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
PubChem CID135250768
Molecular FormulaC40H46N8S3
Molecular Weight735.07 g/mol
Exact Mass734.30
IUPAC Name2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C
InChIInChI=1S/C40H46N8S3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3
InChIKeyYWFDJZFXWGDNRV-UHFFFAOYSA-N
XLogP9.81
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.07
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The IUPAC name of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (CID 135250768) is 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.
What is the SMILES notation for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The canonical SMILES for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C.
What is the InChIKey of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The InChIKey is YWFDJZFXWGDNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N8S3/c1-35(2)38(7,8)49-32(46-35)26-13-23(17-41-20-26)29-16-30(24-14-27(21-42-18-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-28(22-43-19-25)34-48-37(5,6)40(11,12)51-34/h13-22H,1-12H3.
What are the key properties of 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole has a molecular weight of 735.07 g/mol, XLogP of 9.81, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is sourced from PubChem (CID 135250768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).