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

C19H27N3O4S — CID 16868591

IUPACethyl 1-[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)C1
InChIInChI=1S/C19H27N3O4S/c1-4-26-18(25)13-6-5-7-21(10-13)16(23)8-14-11-27-19-20-15(12(2)3)9-17(24)22(14)19/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyGIVILEBNJIZJNH-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.21
Rot. Bonds5

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

ethyl 1-[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 16868591) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl 1-[2-(5-oxo-7-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
PubChem CID16868591
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Nameethyl 1-[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)C1
InChIInChI=1S/C19H27N3O4S/c1-4-26-18(25)13-6-5-7-21(10-13)16(23)8-14-11-27-19-20-15(12(2)3)9-17(24)22(14)19/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyGIVILEBNJIZJNH-UHFFFAOYSA-N
XLogP2.21
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-oxo-7-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (CID 16868591) is ethyl 1-[2-(5-oxo-7-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)C1.
What is the InChIKey of ethyl 1-[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is GIVILEBNJIZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-26-18(25)13-6-5-7-21(10-13)16(23)8-14-11-27-19-20-15(12(2)3)9-17(24)22(14)19/h9,12-14H,4-8,10-11H2,1-3H3.
What are the key properties of ethyl 1-[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(5-oxo-7-propan-2-yl-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 2.21, 5 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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 16868591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).