5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole

C21H18FN5S — CID 58521650

IUPAC5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncs2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)8-21-26-17(9-18-11-23-6-7-25-18)10-19(27-21)20-12-24-13-28-20/h2-7,10-14H,8-9H2,1H3/t14-/m1/s1
InChIKeyZELJRAZLZZXZDQ-CQSZACIVSA-N
MW391.48 g/mol
LogP4.47
Rot. Bonds6

About 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (PubChem CID 58521650) has the molecular formula C21H18FN5S and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
PubChem CID58521650
Molecular FormulaC21H18FN5S
Molecular Weight391.48 g/mol
Exact Mass391.13
IUPAC Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncs2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)8-21-26-17(9-18-11-23-6-7-25-18)10-19(27-21)20-12-24-13-28-20/h2-7,10-14H,8-9H2,1H3/t14-/m1/s1
InChIKeyZELJRAZLZZXZDQ-CQSZACIVSA-N
XLogP4.47
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5329344
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US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
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2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
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({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
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CID 44444869
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 44579351
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (CID 58521650) is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is C[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncs2)n1)c1ccc(F)cc1.
What is the InChIKey of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is ZELJRAZLZZXZDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)8-21-26-17(9-18-11-23-6-7-25-18)10-19(27-21)20-12-24-13-28-20/h2-7,10-14H,8-9H2,1H3/t14-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 391.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 58521650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).