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

C14H18N4O3S — CID 2654299

IUPACethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)10-11-9-12(19)18-7-8-22-13(18)15-11/h7-9H,2-6,10H2,1H3
InChIKeyMSLXMNPOBYAILH-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.03
Rot. Bonds3

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

ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate (PubChem CID 2654299) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
PubChem CID2654299
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Nameethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)10-11-9-12(19)18-7-8-22-13(18)15-11/h7-9H,2-6,10H2,1H3
InChIKeyMSLXMNPOBYAILH-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2,6-Dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2998063
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
ethyl 4-[(3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
CID 24789790
7-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
Ethyl 4-({7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-6-YL}sulfonyl)piperazine-1-carboxylate
CID 23004552
7-[(4-Ethylpiperazino)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 6469928
7-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126290
7-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126292
7-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7126294
[2-(Ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8799706
ethyl N-[2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetyl]carbamate
CID 8799707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate (CID 2654299) is ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The InChIKey is MSLXMNPOBYAILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)10-11-9-12(19)18-7-8-22-13(18)15-11/h7-9H,2-6,10H2,1H3.
What are the key properties of ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 2654299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).