4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

C28H24N8OS2 — CID 67005489

IUPAC4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1nnc(-c2cccc(-c3nc4sccn4c3-c3ccnc(Nc4cccc(N5CCOCC5)c4)n3)c2)s1
InChIInChI=1S/C28H24N8OS2/c1-18-33-34-26(39-18)20-5-2-4-19(16-20)24-25(36-12-15-38-28(36)32-24)23-8-9-29-27(31-23)30-21-6-3-7-22(17-21)35-10-13-37-14-11-35/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,29,30,31)
InChIKeyIBRQQTJUIXOUBX-UHFFFAOYSA-N
MW552.69 g/mol
LogP5.93
Rot. Bonds6

About 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine

4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 67005489) has the molecular formula C28H24N8OS2 and a molecular weight of 552.69 g/mol. Its IUPAC name is 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID67005489
Molecular FormulaC28H24N8OS2
Molecular Weight552.69 g/mol
Exact Mass552.15
IUPAC Name4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1nnc(-c2cccc(-c3nc4sccn4c3-c3ccnc(Nc4cccc(N5CCOCC5)c4)n3)c2)s1
InChIInChI=1S/C28H24N8OS2/c1-18-33-34-26(39-18)20-5-2-4-19(16-20)24-25(36-12-15-38-28(36)32-24)23-8-9-29-27(31-23)30-21-6-3-7-22(17-21)35-10-13-37-14-11-35/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,29,30,31)
InChIKeyIBRQQTJUIXOUBX-UHFFFAOYSA-N
XLogP5.93
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 67005489) is 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1nnc(-c2cccc(-c3nc4sccn4c3-c3ccnc(Nc4cccc(N5CCOCC5)c4)n3)c2)s1.
What is the InChIKey of 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is IBRQQTJUIXOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8OS2/c1-18-33-34-26(39-18)20-5-2-4-19(16-20)24-25(36-12-15-38-28(36)32-24)23-8-9-29-27(31-23)30-21-6-3-7-22(17-21)35-10-13-37-14-11-35/h2-9,12,15-17H,10-11,13-14H2,1H3,(H,29,30,31).
What are the key properties of 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 552.69 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 67005489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).