N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide

C19H20FN3O6S — CID 54682717

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCS(=O)(=O)C21CCOCC1
InChIInChI=1S/C19H20FN3O6S/c20-13-3-1-12(2-4-13)11-21-16(25)14-15(24)17(26)23-7-10-30(27,28)19(18(23)22-14)5-8-29-9-6-19/h1-4,24H,5-11H2,(H,21,25)
InChIKeyGUPYSGZXHILFHX-UHFFFAOYSA-N
MW437.45 g/mol
LogP0.45
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide (PubChem CID 54682717) has the molecular formula C19H20FN3O6S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide
PubChem CID54682717
Molecular FormulaC19H20FN3O6S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCS(=O)(=O)C21CCOCC1
InChIInChI=1S/C19H20FN3O6S/c20-13-3-1-12(2-4-13)11-21-16(25)14-15(24)17(26)23-7-10-30(27,28)19(18(23)22-14)5-8-29-9-6-19/h1-4,24H,5-11H2,(H,21,25)
InChIKeyGUPYSGZXHILFHX-UHFFFAOYSA-N
XLogP0.45
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54684170
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684172
2-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-1'-yl]-2-oxoacetic acid
CID 54681971
methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,4'-piperidine]-1'-carboxylate
CID 54681926
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9,9-dipropyl-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 143300519
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-methylsulfonyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698279
[5-fluoro-2-[[(3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,4'-oxane]-2-carbonyl)amino]methyl]phenyl]phosphonic acid
CID 69206755
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,8-dihydropyrimido[2,1-d][1,2,5]thiadiazine-2-carboxamide
CID 91251624
8-[2-(dimethylamino)acetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698283
9-amino-9-ethyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 66595225
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 54720034

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide (CID 54682717) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCS(=O)(=O)C21CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide?
The InChIKey is GUPYSGZXHILFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O6S/c20-13-3-1-12(2-4-13)11-21-16(25)14-15(24)17(26)23-7-10-30(27,28)19(18(23)22-14)5-8-29-9-6-19/h1-4,24H,5-11H2,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4,8,8-trioxospiro[6,7-dihydropyrimido[2,1-c][1,4]thiazine-9,4'-oxane]-2-carboxamide is sourced from PubChem (CID 54682717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).