N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C14H19N5O2S — CID 108751705

IUPACN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1sc2nc(NC(=O)C3CC(=O)N(C(C)C)C3)nn2c1C
InChIInChI=1S/C14H19N5O2S/c1-7(2)18-6-10(5-11(18)20)12(21)15-13-16-14-19(17-13)8(3)9(4)22-14/h7,10H,5-6H2,1-4H3,(H,15,17,21)
InChIKeyKULYANPZIGGUCE-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.60
Rot. Bonds3

About N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108751705) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108751705
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1sc2nc(NC(=O)C3CC(=O)N(C(C)C)C3)nn2c1C
InChIInChI=1S/C14H19N5O2S/c1-7(2)18-6-10(5-11(18)20)12(21)15-13-16-14-19(17-13)8(3)9(4)22-14/h7,10H,5-6H2,1-4H3,(H,15,17,21)
InChIKeyKULYANPZIGGUCE-UHFFFAOYSA-N
XLogP1.60
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401209
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108752890
ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112827829
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829
(3S)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401012
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108752758
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401919
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(3S)-5-oxo-N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9402271

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108751705) is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1sc2nc(NC(=O)C3CC(=O)N(C(C)C)C3)nn2c1C.
What is the InChIKey of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KULYANPZIGGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-7(2)18-6-10(5-11(18)20)12(21)15-13-16-14-19(17-13)8(3)9(4)22-14/h7,10H,5-6H2,1-4H3,(H,15,17,21).
What are the key properties of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108751705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).