(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

C16H14FN3O3S — CID 141307421

IUPAC(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCN(C)COC(=O)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H14FN3O3S/c1-19(2)9-23-16(22)12-7-13-15(24-8-18-13)20(14(12)21)11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3
InChIKeyPRPNOPMKPUDDGP-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.26
Rot. Bonds4

About (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 141307421) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
PubChem CID141307421
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCN(C)COC(=O)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H14FN3O3S/c1-19(2)9-23-16(22)12-7-13-15(24-8-18-13)20(14(12)21)11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3
InChIKeyPRPNOPMKPUDDGP-UHFFFAOYSA-N
XLogP2.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123595848
2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 141307427
N-[3-chloro-4-[2-fluoro-4-[2-[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-methylpiperazine-1-carboxamide
CID 160570977
CID 160873351
CID 160873351
ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 173493244
N-[4-[2-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
disodium;ethyl 5-(4-fluoro-N-(3-methoxy-3-oxopropanoyl)anilino)-1,3-thiazole-4-carboxylate;4-(4-fluorophenyl)-6-methoxycarbonyl-5-oxo-[1,3]thiazolo[5,4-b]pyridin-7-olate;methanolate
CID 158103834
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 71488776
(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 7276691
1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 153406253
ethyl 6-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxylate
CID 100786062

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (CID 141307421) is (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is CN(C)COC(=O)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is PRPNOPMKPUDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-19(2)9-23-16(22)12-7-13-15(24-8-18-13)20(14(12)21)11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3.
What are the key properties of (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 141307421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).