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

C17H13N5S — CID 44586829

IUPAC2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine
SMILESNc1ccnc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C17H13N5S/c18-14-8-9-19-15(20-14)7-6-13-16(12-4-2-1-3-5-12)21-17-22(13)10-11-23-17/h1-11H,(H2,18,19,20)/b7-6+
InChIKeyGRPJMLTWHSMLEL-VOTSOKGWSA-N
MW319.39 g/mol
LogP3.61
Rot. Bonds3

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

2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine (PubChem CID 44586829) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine
PubChem CID44586829
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine
SMILESNc1ccnc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C17H13N5S/c18-14-8-9-19-15(20-14)7-6-13-16(12-4-2-1-3-5-12)21-17-22(13)10-11-23-17/h1-11H,(H2,18,19,20)/b7-6+
InChIKeyGRPJMLTWHSMLEL-VOTSOKGWSA-N
XLogP3.61
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine?
The IUPAC name of 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine (CID 44586829) is 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine is Nc1ccnc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1.
What is the InChIKey of 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine?
The InChIKey is GRPJMLTWHSMLEL-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H13N5S/c18-14-8-9-19-15(20-14)7-6-13-16(12-4-2-1-3-5-12)21-17-22(13)10-11-23-17/h1-11H,(H2,18,19,20)/b7-6+.
What are the key properties of 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine?
2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine has a molecular weight of 319.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-4-amine is sourced from PubChem (CID 44586829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).