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

C15H20N4O3S — CID 8754697

IUPACmethyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
SMILESCCc1nn2c(=O)cc(CN3CCC(C(=O)OC)CC3)nc2s1
InChIInChI=1S/C15H20N4O3S/c1-3-12-17-19-13(20)8-11(16-15(19)23-12)9-18-6-4-10(5-7-18)14(21)22-2/h8,10H,3-7,9H2,1-2H3
InChIKeyYHPVIXUFYZLPGX-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.10
Rot. Bonds4

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

methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate (PubChem CID 8754697) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
PubChem CID8754697
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Namemethyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
SMILESCCc1nn2c(=O)cc(CN3CCC(C(=O)OC)CC3)nc2s1
InChIInChI=1S/C15H20N4O3S/c1-3-12-17-19-13(20)8-11(16-15(19)23-12)9-18-6-4-10(5-7-18)14(21)22-2/h8,10H,3-7,9H2,1-2H3
InChIKeyYHPVIXUFYZLPGX-UHFFFAOYSA-N
XLogP1.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 43033736
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CID 43441443
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CID 45281744
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CID 45797061
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CID 45797149
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate (CID 8754697) is methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate is CCc1nn2c(=O)cc(CN3CCC(C(=O)OC)CC3)nc2s1.
What is the InChIKey of methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
The InChIKey is YHPVIXUFYZLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-12-17-19-13(20)8-11(16-15(19)23-12)9-18-6-4-10(5-7-18)14(21)22-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).