(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C20H18FN3O4S — CID 46660704

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O4S/c21-15-5-3-13(4-6-15)18(26)23-7-1-2-14(11-23)19(27)28-12-16-10-17(25)24-8-9-29-20(24)22-16/h3-6,8-10,14H,1-2,7,11-12H2
InChIKeyHUWFBZVCIMEBAC-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.49
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 46660704) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID46660704
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O4S/c21-15-5-3-13(4-6-15)18(26)23-7-1-2-14(11-23)19(27)28-12-16-10-17(25)24-8-9-29-20(24)22-16/h3-6,8-10,14H,1-2,7,11-12H2
InChIKeyHUWFBZVCIMEBAC-UHFFFAOYSA-N
XLogP2.49
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate with MolForge

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 51482978
(5-phenyl-1,2-oxazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459448
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 51514522
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 3943546
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(3,5-dimethylbenzoyl)piperidine-3-carboxylate
CID 166192420
methyl (3S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 79046296
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 40960869
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660959
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 46660704) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is HUWFBZVCIMEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c21-15-5-3-13(4-6-15)18(26)23-7-1-2-14(11-23)19(27)28-12-16-10-17(25)24-8-9-29-20(24)22-16/h3-6,8-10,14H,1-2,7,11-12H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 46660704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).