tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate

C15H21N5O3S — CID 133499607

IUPACtert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2nn3c(=O)ccnc3s2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21N5O3S/c1-10-9-18(7-8-19(10)14(22)23-15(2,3)4)13-17-20-11(21)5-6-16-12(20)24-13/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1
InChIKeyKAYGVCKMRUOZJX-SNVBAGLBSA-N
MW351.43 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 133499607) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID133499607
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Nametert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2nn3c(=O)ccnc3s2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21N5O3S/c1-10-9-18(7-8-19(10)14(22)23-15(2,3)4)13-17-20-11(21)5-6-16-12(20)24-13/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1
InChIKeyKAYGVCKMRUOZJX-SNVBAGLBSA-N
XLogP1.60
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)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

tert-butyl 4-[6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2-methylpiperazine-1-carboxylate
CID 90968648
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl (2S)-4-(1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxylate
CID 97177045
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
tert-butyl (2R)-4-(4-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 97176975
tert-butyl (2S)-4-(2-chloro-3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 131996968
tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl 4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylpiperazine-1-carboxylate
CID 177040055
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094
tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
CID 156557842

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate (CID 133499607) is tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate is C[C@@H]1CN(c2nn3c(=O)ccnc3s2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is KAYGVCKMRUOZJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-10-9-18(7-8-19(10)14(22)23-15(2,3)4)13-17-20-11(21)5-6-16-12(20)24-13/h5-6,10H,7-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 133499607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).