methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C15H13FN2O3S — CID 66609439

IUPACmethyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(s1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H13FN2O3S/c1-21-15(20)13-17-11-6-7-18(8-12(11)22-13)14(19)9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyXPLXJIWYCSPFMN-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.27
Rot. Bonds2

About methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 66609439) has the molecular formula C15H13FN2O3S and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID66609439
Molecular FormulaC15H13FN2O3S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Namemethyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(s1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H13FN2O3S/c1-21-15(20)13-17-11-6-7-18(8-12(11)22-13)14(19)9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyXPLXJIWYCSPFMN-UHFFFAOYSA-N
XLogP2.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate with MolForge

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Related Compounds

N-[5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531115
5-O-tert-butyl 2-O-methyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 68644038
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044
2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749742
methyl N-[5-(2-phenoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528779
(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872524
methyl 5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate
CID 78850342
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
ethyl N-[5-(2-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527850
methyl 4-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]benzoate
CID 90528278
methyl 6-acetyl-2-[(2-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3415722

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 66609439) is methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is COC(=O)c1nc2c(s1)CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is XPLXJIWYCSPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-21-15(20)13-17-11-6-7-18(8-12(11)22-13)14(19)9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3.
What are the key properties of methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 66609439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).