[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid

C20H16FN5O6S — CID 142851172

IUPAC[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
SMILESCc1c(=O)n(Cc2cc(NC(=O)O)no2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12
InChIInChI=1S/C20H16FN5O6S/c1-10-17(28)25(8-13-6-15(24-32-13)23-19(29)30)20(31)26-9-14(33-18(10)26)16(27)22-7-11-2-4-12(21)5-3-11/h2-6,9H,7-8H2,1H3,(H,22,27)(H,23,24)(H,29,30)
InChIKeySJFPPYMAHOBMOS-UHFFFAOYSA-N
MW473.44 g/mol
LogP2.03
Rot. Bonds6

About [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid

[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid (PubChem CID 142851172) has the molecular formula C20H16FN5O6S and a molecular weight of 473.44 g/mol. Its IUPAC name is [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
PubChem CID142851172
Molecular FormulaC20H16FN5O6S
Molecular Weight473.44 g/mol
Exact Mass473.08
IUPAC Name[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
SMILESCc1c(=O)n(Cc2cc(NC(=O)O)no2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12
InChIInChI=1S/C20H16FN5O6S/c1-10-17(28)25(8-13-6-15(24-32-13)23-19(29)30)20(31)26-9-14(33-18(10)26)16(27)22-7-11-2-4-12(21)5-3-11/h2-6,9H,7-8H2,1H3,(H,22,27)(H,23,24)(H,29,30)
InChIKeySJFPPYMAHOBMOS-UHFFFAOYSA-N
XLogP2.03
TPSA147.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid with MolForge

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Related Compounds

methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]benzoate
CID 58603241
N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dioxo-6-[(E)-pent-2-enyl]-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
CID 10135673
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-2-methylbenzoate;hydrochloride
CID 142851254
4-[[8-methyl-5,7-dioxo-2-(pyridin-4-ylmethylcarbamoyl)-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]benzoic acid
CID 10166621
6-[(3-fluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide;hydrochloride
CID 139993857
3-N-[(4-fluorophenyl)methyl]-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070511
2-(3,5-dimethylphenyl)-N,4-bis[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836493
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
N,4-bis[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004746
8-methyl-6-(3-methylbut-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
CID 91513365
4-benzyl-2-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836337
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19506738

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?
The IUPAC name of [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid (CID 142851172) is [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid.
What is the SMILES notation for [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?
The canonical SMILES for [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid is Cc1c(=O)n(Cc2cc(NC(=O)O)no2)c(=O)n2cc(C(=O)NCc3ccc(F)cc3)sc12.
What is the InChIKey of [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?
The InChIKey is SJFPPYMAHOBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O6S/c1-10-17(28)25(8-13-6-15(24-32-13)23-19(29)30)20(31)26-9-14(33-18(10)26)16(27)22-7-11-2-4-12(21)5-3-11/h2-6,9H,7-8H2,1H3,(H,22,27)(H,23,24)(H,29,30).
What are the key properties of [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid?
[5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid has a molecular weight of 473.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[(4-fluorophenyl)methylcarbamoyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl]methyl]-1,2-oxazol-3-yl]carbamic acid is sourced from PubChem (CID 142851172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).