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

C14H17N3O5S2 — CID 16620017

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H17N3O5S2/c1-24(20,21)16-4-2-10(3-5-16)13(19)22-9-11-8-12(18)17-6-7-23-14(17)15-11/h6-8,10H,2-5,9H2,1H3
InChIKeyJDXGUKKAPQIMAG-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.47
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 16620017) has the molecular formula C14H17N3O5S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID16620017
Molecular FormulaC14H17N3O5S2
Molecular Weight371.44 g/mol
Exact Mass371.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H17N3O5S2/c1-24(20,21)16-4-2-10(3-5-16)13(19)22-9-11-8-12(18)17-6-7-23-14(17)15-11/h6-8,10H,2-5,9H2,1H3
InChIKeyJDXGUKKAPQIMAG-UHFFFAOYSA-N
XLogP0.47
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 1-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate
CID 8088010
Ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-6-YL}sulfonyl)piperidine-4-carboxylate
CID 20901078
(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
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812395
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 (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate (CID 16620017) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate is CS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is JDXGUKKAPQIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S2/c1-24(20,21)16-4-2-10(3-5-16)13(19)22-9-11-8-12(18)17-6-7-23-14(17)15-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 0.47, 4 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 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 16620017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).