N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

C23H17N5S — CID 44586768

IUPACN-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESC(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C23H17N5S/c1-3-7-17(8-4-1)21-20(28-15-16-29-23(28)27-21)12-11-19-13-14-24-22(26-19)25-18-9-5-2-6-10-18/h1-16H,(H,24,25,26)/b12-11+
InChIKeyBIZISPKHXAZMJW-VAWYXSNFSA-N
MW395.49 g/mol
LogP5.77
Rot. Bonds5

About N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44586768) has the molecular formula C23H17N5S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44586768
Molecular FormulaC23H17N5S
Molecular Weight395.49 g/mol
Exact Mass395.12
IUPAC NameN-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESC(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C23H17N5S/c1-3-7-17(8-4-1)21-20(28-15-16-29-23(28)27-21)12-11-19-13-14-24-22(26-19)25-18-9-5-2-6-10-18/h1-16H,(H,24,25,26)/b12-11+
InChIKeyBIZISPKHXAZMJW-VAWYXSNFSA-N
XLogP5.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44586768) is N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is C(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is BIZISPKHXAZMJW-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H17N5S/c1-3-7-17(8-4-1)21-20(28-15-16-29-23(28)27-21)12-11-19-13-14-24-22(26-19)25-18-9-5-2-6-10-18/h1-16H,(H,24,25,26)/b12-11+.
What are the key properties of N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 395.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44586768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).