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

C12H11N5S — CID 44587324

IUPAC4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCc1nc2sccn2c1/C=C/c1ccnc(N)n1
InChIInChI=1S/C12H11N5S/c1-8-10(17-6-7-18-12(17)15-8)3-2-9-4-5-14-11(13)16-9/h2-7H,1H3,(H2,13,14,16)/b3-2+
InChIKeyAOFBWAVVIAOMDE-NSCUHMNNSA-N
MW257.32 g/mol
LogP2.25
Rot. Bonds2

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

4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44587324) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44587324
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCc1nc2sccn2c1/C=C/c1ccnc(N)n1
InChIInChI=1S/C12H11N5S/c1-8-10(17-6-7-18-12(17)15-8)3-2-9-4-5-14-11(13)16-9/h2-7H,1H3,(H2,13,14,16)/b3-2+
InChIKeyAOFBWAVVIAOMDE-NSCUHMNNSA-N
XLogP2.25
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.25
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-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44587324) is 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is Cc1nc2sccn2c1/C=C/c1ccnc(N)n1.
What is the InChIKey of 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is AOFBWAVVIAOMDE-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H11N5S/c1-8-10(17-6-7-18-12(17)15-8)3-2-9-4-5-14-11(13)16-9/h2-7H,1H3,(H2,13,14,16)/b3-2+.
What are the key properties of 4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.25, 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-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44587324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).