1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one

C23H23FN4O2S — CID 58031515

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C23H23FN4O2S/c1-16-21(20(29)10-7-17-4-2-11-25-14-17)31-22(26-16)28-13-3-12-27(23(28)30)15-18-5-8-19(24)9-6-18/h2,4-6,8-9,11,14H,3,7,10,12-13,15H2,1H3
InChIKeyKAFXBHVNPJKIKD-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.63
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one

1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one (PubChem CID 58031515) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
PubChem CID58031515
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C23H23FN4O2S/c1-16-21(20(29)10-7-17-4-2-11-25-14-17)31-22(26-16)28-13-3-12-27(23(28)30)15-18-5-8-19(24)9-6-18/h2,4-6,8-9,11,14H,3,7,10,12-13,15H2,1H3
InChIKeyKAFXBHVNPJKIKD-UHFFFAOYSA-N
XLogP4.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
4-fluoro-N-methyl-N-(4-(pyrimidin-4-yl)thiazol-2-yl)benzamide
CID 16038338
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyrazin-2-yl)thiazol-2-yl)benzamide
CID 16661409
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one (CID 58031515) is 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one is Cc1nc(N2CCCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The InChIKey is KAFXBHVNPJKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-16-21(20(29)10-7-17-4-2-11-25-14-17)31-22(26-16)28-13-3-12-27(23(28)30)15-18-5-8-19(24)9-6-18/h2,4-6,8-9,11,14H,3,7,10,12-13,15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one has a molecular weight of 438.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 58031515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).