5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole

C22H15FN4S — CID 141056229

IUPAC5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5)c4)cnc3n2)s1
InChIInChI=1S/C22H15FN4S/c1-14-24-13-21(28-14)19-9-10-27-20(12-25-22(27)26-19)16-7-8-18(23)17(11-16)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyMKTNQSKRFNHQBF-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.63
Rot. Bonds3

About 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole

5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole (PubChem CID 141056229) has the molecular formula C22H15FN4S and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole
PubChem CID141056229
Molecular FormulaC22H15FN4S
Molecular Weight386.46 g/mol
Exact Mass386.10
IUPAC Name5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5)c4)cnc3n2)s1
InChIInChI=1S/C22H15FN4S/c1-14-24-13-21(28-14)19-9-10-27-20(12-25-22(27)26-19)16-7-8-18(23)17(11-16)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyMKTNQSKRFNHQBF-UHFFFAOYSA-N
XLogP5.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20823960
CID 20823960
CID 20823975
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CID 20823982
CID 20823982
CID 20824060
CID 20824060
CID 21083789
CID 21083789
CID 21083906
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CID 443278
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CID 9863146
CID 9863146

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole (CID 141056229) is 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole is Cc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5)c4)cnc3n2)s1.
What is the InChIKey of 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole?
The InChIKey is MKTNQSKRFNHQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4S/c1-14-24-13-21(28-14)19-9-10-27-20(12-25-22(27)26-19)16-7-8-18(23)17(11-16)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole?
5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole has a molecular weight of 386.46 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluoro-3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 141056229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).