(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C11H14N6O2S — CID 31259594

IUPAC(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCC[C@H]2c2nonc2C)s1
InChIInChI=1S/C11H14N6O2S/c1-6-9(16-19-15-6)8-4-3-5-17(8)11(18)12-10-14-13-7(2)20-10/h8H,3-5H2,1-2H3,(H,12,14,18)/t8-/m0/s1
InChIKeyBAWZXGOZXBDHFX-QMMMGPOBSA-N
MW294.34 g/mol
LogP1.91
Rot. Bonds2

About (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 31259594) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID31259594
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCC[C@H]2c2nonc2C)s1
InChIInChI=1S/C11H14N6O2S/c1-6-9(16-19-15-6)8-4-3-5-17(8)11(18)12-10-14-13-7(2)20-10/h8H,3-5H2,1-2H3,(H,12,14,18)/t8-/m0/s1
InChIKeyBAWZXGOZXBDHFX-QMMMGPOBSA-N
XLogP1.91
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 45232626
(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 95268925
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 70717244
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359435
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72935420
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45250995
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
tert-butyl (2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 167923098
5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 97143712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 31259594) is (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is Cc1nnc(NC(=O)N2CCC[C@H]2c2nonc2C)s1.
What is the InChIKey of (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is BAWZXGOZXBDHFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-6-9(16-19-15-6)8-4-3-5-17(8)11(18)12-10-14-13-7(2)20-10/h8H,3-5H2,1-2H3,(H,12,14,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 31259594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).