4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine

C14H24N4OS — CID 133484390

IUPAC4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
SMILESCC(C)Cc1nsc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C14H24N4OS/c1-11(2)9-13-15-14(20-16-13)18-4-3-12(10-18)17-5-7-19-8-6-17/h11-12H,3-10H2,1-2H3
InChIKeyYZYWXUUYSPXEQO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.65
Rot. Bonds4

About 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine

4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine (PubChem CID 133484390) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
PubChem CID133484390
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
SMILESCC(C)Cc1nsc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C14H24N4OS/c1-11(2)9-13-15-14(20-16-13)18-4-3-12(10-18)17-5-7-19-8-6-17/h11-12H,3-10H2,1-2H3
InChIKeyYZYWXUUYSPXEQO-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64543603
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63168028
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
CID 126823553
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976799
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 133485658
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine (CID 133484390) is 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine is CC(C)Cc1nsc(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is YZYWXUUYSPXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(2)9-13-15-14(20-16-13)18-4-3-12(10-18)17-5-7-19-8-6-17/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine?
4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 296.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 133484390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).