5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole

C14H17N3OS — CID 171705009

IUPAC5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(COc3ccncc3)C2)s1
InChIInChI=1S/C14H17N3OS/c1-11-8-16-14(19-11)17-7-4-12(9-17)10-18-13-2-5-15-6-3-13/h2-3,5-6,8,12H,4,7,9-10H2,1H3
InChIKeyPDMPSKPUPDKWKY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole

5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 171705009) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID171705009
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(COc3ccncc3)C2)s1
InChIInChI=1S/C14H17N3OS/c1-11-8-16-14(19-11)17-7-4-12(9-17)10-18-13-2-5-15-6-3-13/h2-3,5-6,8,12H,4,7,9-10H2,1H3
InChIKeyPDMPSKPUPDKWKY-UHFFFAOYSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole (CID 171705009) is 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole is Cc1cnc(N2CCC(COc3ccncc3)C2)s1.
What is the InChIKey of 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is PDMPSKPUPDKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11-8-16-14(19-11)17-7-4-12(9-17)10-18-13-2-5-15-6-3-13/h2-3,5-6,8,12H,4,7,9-10H2,1H3.
What are the key properties of 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 275.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 171705009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).