ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate

C19H27N3O4S — CID 16868401

IUPACethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C19H27N3O4S/c1-3-6-14-9-17(24)22-15(12-27-19(22)20-14)10-16(23)21-8-5-7-13(11-21)18(25)26-4-2/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeySWKVIRSNHBXBAD-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.03
Rot. Bonds6

About ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 16868401) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
PubChem CID16868401
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Nameethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C19H27N3O4S/c1-3-6-14-9-17(24)22-15(12-27-19(22)20-14)10-16(23)21-8-5-7-13(11-21)18(25)26-4-2/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeySWKVIRSNHBXBAD-UHFFFAOYSA-N
XLogP2.03
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16867722
ethyl 1-(2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868592
Ethyl 1-(2-(5-oxo-2,3,5,6,7,8-hexahydrocyclopenta[d]thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 44044848
methyl 1-{2-[(S)-6-isopropyl-4-oxo-1-thia-3a,7-diaza-3-indanyl]acetyl}-4-piperidinecarboxylate
CID 51530509
Ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
CID 44044801
ethyl 1-(2-(5-oxo-3,5,6,7,8,9-hexahydro-2H-thiazolo[2,3-b]quinazolin-3-yl)acetyl)piperidine-3-carboxylate
CID 44044870
Ethyl 1-(7-ethyl-8-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate
CID 71802356
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-(2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16868038
ethyl 1-(2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16868211
ethyl 1-(2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868212
methyl 1-(2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868213

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (CID 16868401) is ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is CCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is SWKVIRSNHBXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-3-6-14-9-17(24)22-15(12-27-19(22)20-14)10-16(23)21-8-5-7-13(11-21)18(25)26-4-2/h9,13,15H,3-8,10-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 16868401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).