N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

C16H19N7O2S — CID 20929396

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3ncnc4onc(C)c34)C2)s1
InChIInChI=1S/C16H19N7O2S/c1-3-11-20-21-16(26-11)19-14(24)10-5-4-6-23(7-10)13-12-9(2)22-25-15(12)18-8-17-13/h8,10H,3-7H2,1-2H3,(H,19,21,24)
InChIKeySEHZYVQYYZTKNK-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.20
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 20929396) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID20929396
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3ncnc4onc(C)c34)C2)s1
InChIInChI=1S/C16H19N7O2S/c1-3-11-20-21-16(26-11)19-14(24)10-5-4-6-23(7-10)13-12-9(2)22-25-15(12)18-8-17-13/h8,10H,3-7H2,1-2H3,(H,19,21,24)
InChIKeySEHZYVQYYZTKNK-UHFFFAOYSA-N
XLogP2.20
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92692710
N-(1,3-benzodioxol-5-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 20929390
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 92745861
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20929378
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92745865
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97194931
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
(3S)-N-benzyl-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745850
N-(2-ethylphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924830

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 20929396) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1nnc(NC(=O)C2CCCN(c3ncnc4onc(C)c34)C2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is SEHZYVQYYZTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-3-11-20-21-16(26-11)19-14(24)10-5-4-6-23(7-10)13-12-9(2)22-25-15(12)18-8-17-13/h8,10H,3-7H2,1-2H3,(H,19,21,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20929396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).