N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C20H19FN4O2S — CID 126781284

IUPACN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19FN4O2S/c21-16-10-14(11-22-18(16)25-6-8-27-9-7-25)12-23-19(26)17-13-24-20(28-17)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2,(H,23,26)
InChIKeyOUWMAXAERCEDTI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.11
Rot. Bonds5

About N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 126781284) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID126781284
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19FN4O2S/c21-16-10-14(11-22-18(16)25-6-8-27-9-7-25)12-23-19(26)17-13-24-20(28-17)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2,(H,23,26)
InChIKeyOUWMAXAERCEDTI-UHFFFAOYSA-N
XLogP3.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 126775819
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122054908
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55718847
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 125422212
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813543
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 126781284) is N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OUWMAXAERCEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-16-10-14(11-22-18(16)25-6-8-27-9-7-25)12-23-19(26)17-13-24-20(28-17)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2,(H,23,26).
What are the key properties of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126781284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).