3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C14H20N4OS — CID 63145200

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3nc(C)cs3)no2)CCNC1
InChIInChI=1S/C14H20N4OS/c1-3-4-14(5-6-15-9-14)13-17-11(18-19-13)7-12-16-10(2)8-20-12/h8,15H,3-7,9H2,1-2H3
InChIKeyMTVGVZYIJSXYIK-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.46
Rot. Bonds5

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63145200) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63145200
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3nc(C)cs3)no2)CCNC1
InChIInChI=1S/C14H20N4OS/c1-3-4-14(5-6-15-9-14)13-17-11(18-19-13)7-12-16-10(2)8-20-12/h8,15H,3-7,9H2,1-2H3
InChIKeyMTVGVZYIJSXYIK-UHFFFAOYSA-N
XLogP2.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125802
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 104597566
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144516
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65133231

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63145200) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(Cc3nc(C)cs3)no2)CCNC1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MTVGVZYIJSXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-4-14(5-6-15-9-14)13-17-11(18-19-13)7-12-16-10(2)8-20-12/h8,15H,3-7,9H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 292.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).