(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C24H27N3O5S — CID 51611568

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CC[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H27N3O5S/c1-3-4-11-26-20(28)10-9-19(22(26)16-5-7-18(31-2)8-6-16)23(30)32-15-17-14-21(29)27-12-13-33-24(27)25-17/h5-8,12-14,19,22H,3-4,9-11,15H2,1-2H3/t19-,22-/m1/s1
InChIKeyQMZGLHOMKDUXGX-DENIHFKCSA-N
MW469.56 g/mol
LogP3.59
Rot. Bonds8

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 51611568) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID51611568
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CC[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H27N3O5S/c1-3-4-11-26-20(28)10-9-19(22(26)16-5-7-18(31-2)8-6-16)23(30)32-15-17-14-21(29)27-12-13-33-24(27)25-17/h5-8,12-14,19,22H,3-4,9-11,15H2,1-2H3/t19-,22-/m1/s1
InChIKeyQMZGLHOMKDUXGX-DENIHFKCSA-N
XLogP3.59
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 71902279
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 92557254
(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one
CID 39951634
(5S,6S)-1-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(4-methoxyphenyl)piperidin-2-one
CID 51931364
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25440568
(7-hydroxy-2-oxochromen-4-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42918529
N-(4-acetylphenyl)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42886695
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 3929183
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dimethoxybenzoate
CID 2659412
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 40712321
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080734
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927031

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 51611568) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCCCN1C(=O)CC[C@@H](C(=O)OCc2cc(=O)n3ccsc3n2)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is QMZGLHOMKDUXGX-DENIHFKCSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-3-4-11-26-20(28)10-9-19(22(26)16-5-7-18(31-2)8-6-16)23(30)32-15-17-14-21(29)27-12-13-33-24(27)25-17/h5-8,12-14,19,22H,3-4,9-11,15H2,1-2H3/t19-,22-/m1/s1.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 469.56 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 51611568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).