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

C19H25N3O4S — CID 46812395

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCc1csc2nc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc(=O)n12
InChIInChI=1S/C19H25N3O4S/c1-12-11-27-18-20-14(9-15(23)22(12)18)10-26-16(24)13-5-7-21(8-6-13)17(25)19(2,3)4/h9,11,13H,5-8,10H2,1-4H3
InChIKeyQZEAXRCVIYJIGB-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.39
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 46812395) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID46812395
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCc1csc2nc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc(=O)n12
InChIInChI=1S/C19H25N3O4S/c1-12-11-27-18-20-14(9-15(23)22(12)18)10-26-16(24)13-5-7-21(8-6-13)17(25)19(2,3)4/h9,11,13H,5-8,10H2,1-4H3
InChIKeyQZEAXRCVIYJIGB-UHFFFAOYSA-N
XLogP2.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate
CID 8722194
1-O-tert-butyl 4-O-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl] piperidine-1,4-dicarboxylate
CID 8924147
Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8931145
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
CID 16620017
ethyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867879
Ethyl 1-[4-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739046
Ethyl 1-[4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739375
Ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate
CID 42739433
Ethyl 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate
CID 42739465
Ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 46800750
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate
CID 55391703
1-O-tert-butyl 4-O-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl] piperidine-1,4-dicarboxylate
CID 55393354

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 46812395) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is Cc1csc2nc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is QZEAXRCVIYJIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-11-27-18-20-14(9-15(23)22(12)18)10-26-16(24)13-5-7-21(8-6-13)17(25)19(2,3)4/h9,11,13H,5-8,10H2,1-4H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 46812395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).