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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Related Compounds

2-[4-(4-Methoxy-2-pyridinyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508706
4-{[1-(5-Methyl-1,3-thiazol-2-yl)piperidin-4-yl]methoxy}-2-(trifluoromethyl)pyridine
CID 168054645
4-({1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl}methoxy)pyridine
CID 168054655
4-({1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl}methoxy)pyridine
CID 171705034
4-{[1-(5-Methyl-1,3-thiazol-2-yl)piperidin-3-yl]methoxy}-2-(trifluoromethyl)pyridine
CID 171705101
6-Fluoro-2-{3-[(pyridin-4-yloxy)methyl]pyrrolidin-1-yl}-1,3-benzothiazole
CID 171705365
4,6-Difluoro-2-{3-[(pyridin-4-yloxy)methyl]pyrrolidin-1-yl}-1,3-benzothiazole
CID 171705367
[5-(Pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea
CID 90697629
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135146
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine
CID 142577212
2-[(2-Chloro-1,3-thiazol-5-yl)methyl-(4-methoxy-2-pyridinyl)amino]acetaldehyde
CID 142577217
4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine
CID 146438298

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).