methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate

C18H25N3O4S — CID 51530509

IUPACmethyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1
InChIInChI=1S/C18H25N3O4S/c1-11(2)14-9-16(23)21-13(10-26-18(21)19-14)8-15(22)20-6-4-12(5-7-20)17(24)25-3/h9,11-13H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyGIVBWYKSCUHKDZ-ZDUSSCGKSA-N
MW379.48 g/mol
LogP1.82
Rot. Bonds4

About methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate (PubChem CID 51530509) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
PubChem CID51530509
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Namemethyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1
InChIInChI=1S/C18H25N3O4S/c1-11(2)14-9-16(23)21-13(10-26-18(21)19-14)8-15(22)20-6-4-12(5-7-20)17(24)25-3/h9,11-13H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyGIVBWYKSCUHKDZ-ZDUSSCGKSA-N
XLogP1.82
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-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

ethyl 1-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 135398928
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-3,5,6,7,8,9-hexahydro-2H-thiazolo[2,3-b]quinazolin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044871
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
methyl 1-(2-(6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044831
Ethyl 1-(2-(5-oxo-2,3,5,6,7,8-hexahydrocyclopenta[d]thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044849
methyl 1-(2-(5-oxo-3,5,6,7,8,9-hexahydro-2H-thiazolo[2,3-b]quinazolin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044872
ethyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867723
methyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867724
7-methyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867876
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-4-carboxylate
CID 16868039

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate (CID 51530509) is methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1.
What is the InChIKey of methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is GIVBWYKSCUHKDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-11(2)14-9-16(23)21-13(10-26-18(21)19-14)8-15(22)20-6-4-12(5-7-20)17(24)25-3/h9,11-13H,4-8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 379.48 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51530509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).