ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate

C16H19N3O4S — CID 70762897

IUPACethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H19N3O4S/c1-2-23-13(20)9-11-5-3-4-6-18(11)14(21)12-10-17-16-19(15(12)22)7-8-24-16/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBESVVPOOONTDSA-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate

ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate (PubChem CID 70762897) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
PubChem CID70762897
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Nameethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H19N3O4S/c1-2-23-13(20)9-11-5-3-4-6-18(11)14(21)12-10-17-16-19(15(12)22)7-8-24-16/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBESVVPOOONTDSA-UHFFFAOYSA-N
XLogP1.70
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-ethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51254590
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95603581
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
(3R)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127589
6-[(4aS,7aR)-1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133133420
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
CID 56901719
ethyl (2R)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylate
CID 124627692
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate (CID 70762897) is ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The InChIKey is BESVVPOOONTDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-23-13(20)9-11-5-3-4-6-18(11)14(21)12-10-17-16-19(15(12)22)7-8-24-16/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate has a molecular weight of 349.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 70762897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).