3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole

C15H18N4OS — CID 155975703

IUPAC3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCc1cnccc1OC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C15H18N4OS/c1-10-8-16-6-4-13(10)20-12-5-7-19(9-12)15-17-14(18-21-15)11-2-3-11/h4,6,8,11-12H,2-3,5,7,9H2,1H3
InChIKeyMIAADPKOZYBFOP-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.78
Rot. Bonds4

About 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 155975703) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID155975703
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCc1cnccc1OC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C15H18N4OS/c1-10-8-16-6-4-13(10)20-12-5-7-19(9-12)15-17-14(18-21-15)11-2-3-11/h4,6,8,11-12H,2-3,5,7,9H2,1H3
InChIKeyMIAADPKOZYBFOP-UHFFFAOYSA-N
XLogP2.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 155976329
4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
CID 155975774
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961737
3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171334111
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 155975703) is 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole is Cc1cnccc1OC1CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is MIAADPKOZYBFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-8-16-6-4-13(10)20-12-5-7-19(9-12)15-17-14(18-21-15)11-2-3-11/h4,6,8,11-12H,2-3,5,7,9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 302.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155975703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).