4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C21H18FN3OS — CID 71292529

IUPAC4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(F)cc3)cs2)C(Cc2ccccc2)NC(=O)N1
InChIInChI=1S/C21H18FN3OS/c1-13-19(17(25-21(26)23-13)11-14-5-3-2-4-6-14)20-24-18(12-27-20)15-7-9-16(22)10-8-15/h2-10,12,17H,11H2,1H3,(H2,23,25,26)
InChIKeyFBKKPLBVXRNMBM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.60
Rot. Bonds4

About 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71292529) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71292529
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(F)cc3)cs2)C(Cc2ccccc2)NC(=O)N1
InChIInChI=1S/C21H18FN3OS/c1-13-19(17(25-21(26)23-13)11-14-5-3-2-4-6-14)20-24-18(12-27-20)15-7-9-16(22)10-8-15/h2-10,12,17H,11H2,1H3,(H2,23,25,26)
InChIKeyFBKKPLBVXRNMBM-UHFFFAOYSA-N
XLogP4.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-benzyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-methylidyneazanium
CID 123682510
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 89427160
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
4-[2-(6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506623
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427113
4-[2-[4-(1-benzothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71506813
4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 71292605
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427132
4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506815
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 89427141
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 147135860
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 71292529) is 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(c2nc(-c3ccc(F)cc3)cs2)C(Cc2ccccc2)NC(=O)N1.
What is the InChIKey of 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FBKKPLBVXRNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-13-19(17(25-21(26)23-13)11-14-5-3-2-4-6-14)20-24-18(12-27-20)15-7-9-16(22)10-8-15/h2-10,12,17H,11H2,1H3,(H2,23,25,26).
What are the key properties of 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71292529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).