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

C11H8ClN5S — CID 44587325

IUPAC4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C11H8ClN5S/c12-9-8(17-5-6-18-11(17)16-9)2-1-7-3-4-14-10(13)15-7/h1-6H,(H2,13,14,15)/b2-1+
InChIKeyMDJSTIZRWZATGU-OWOJBTEDSA-N
MW277.74 g/mol
LogP2.59
Rot. Bonds2

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

4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44587325) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44587325
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C11H8ClN5S/c12-9-8(17-5-6-18-11(17)16-9)2-1-7-3-4-14-10(13)15-7/h1-6H,(H2,13,14,15)/b2-1+
InChIKeyMDJSTIZRWZATGU-OWOJBTEDSA-N
XLogP2.59
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44587325) is 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is Nc1nccc(/C=C/c2c(Cl)nc3sccn23)n1.
What is the InChIKey of 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is MDJSTIZRWZATGU-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-9-8(17-5-6-18-11(17)16-9)2-1-7-3-4-14-10(13)15-7/h1-6H,(H2,13,14,15)/b2-1+.
What are the key properties of 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 277.74 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44587325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).