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

C21H18FN5S — CID 58521690

IUPAC2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2nccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)10-20-26-17(11-18-13-23-6-7-24-18)12-19(27-20)21-25-8-9-28-21/h2-9,12-14H,10-11H2,1H3/t14-/m1/s1
InChIKeyWAMNJQAGIFYABM-CQSZACIVSA-N
MW391.48 g/mol
LogP4.47
Rot. Bonds6

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

2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (PubChem CID 58521690) has the molecular formula C21H18FN5S and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
PubChem CID58521690
Molecular FormulaC21H18FN5S
Molecular Weight391.48 g/mol
Exact Mass391.13
IUPAC Name2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2nccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)10-20-26-17(11-18-13-23-6-7-24-18)12-19(27-20)21-25-8-9-28-21/h2-9,12-14H,10-11H2,1H3/t14-/m1/s1
InChIKeyWAMNJQAGIFYABM-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

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

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Related Compounds

N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
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
CID 44579300
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
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
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 145989991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (CID 58521690) is 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is C[C@H](Cc1nc(Cc2cnccn2)cc(-c2nccs2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is WAMNJQAGIFYABM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18FN5S/c1-14(15-2-4-16(22)5-3-15)10-20-26-17(11-18-13-23-6-7-24-18)12-19(27-20)21-25-8-9-28-21/h2-9,12-14H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
2-[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 2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 58521690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).