5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

C17H16N6S — CID 53251311

IUPAC5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cncs4)cn3C)nc2n1
InChIInChI=1S/C17H16N6S/c1-11-6-12(2)23-8-13(20-17(23)19-11)4-5-16-21-14(9-22(16)3)15-7-18-10-24-15/h4-10H,1-3H3/b5-4+
InChIKeyFYEUHVMQYDAENI-SNAWJCMRSA-N
MW336.42 g/mol
LogP3.37
Rot. Bonds3

About 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole

5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53251311) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53251311
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cncs4)cn3C)nc2n1
InChIInChI=1S/C17H16N6S/c1-11-6-12(2)23-8-13(20-17(23)19-11)4-5-16-21-14(9-22(16)3)15-7-18-10-24-15/h4-10H,1-3H3/b5-4+
InChIKeyFYEUHVMQYDAENI-SNAWJCMRSA-N
XLogP3.37
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53251311) is 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cc1cc(C)n2cc(/C=C/c3nc(-c4cncs4)cn3C)nc2n1.
What is the InChIKey of 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is FYEUHVMQYDAENI-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H16N6S/c1-11-6-12(2)23-8-13(20-17(23)19-11)4-5-16-21-14(9-22(16)3)15-7-18-10-24-15/h4-10H,1-3H3/b5-4+.
What are the key properties of 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 336.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53251311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).