5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole

C13H16N4O2S — CID 163350350

IUPAC5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cnc(OC2CCN(Cc3cncs3)C2)nc1
InChIInChI=1S/C13H16N4O2S/c1-18-11-4-15-13(16-5-11)19-10-2-3-17(7-10)8-12-6-14-9-20-12/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyHIHLKJSUXQOJAO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.60
Rot. Bonds5

About 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 163350350) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID163350350
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cnc(OC2CCN(Cc3cncs3)C2)nc1
InChIInChI=1S/C13H16N4O2S/c1-18-11-4-15-13(16-5-11)19-10-2-3-17(7-10)8-12-6-14-9-20-12/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyHIHLKJSUXQOJAO-UHFFFAOYSA-N
XLogP1.60
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163346232
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163350527
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350806
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 154580773
methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
CID 129399501
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701129
4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxybenzonitrile
CID 75482879
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole (CID 163350350) is 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole is COc1cnc(OC2CCN(Cc3cncs3)C2)nc1.
What is the InChIKey of 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HIHLKJSUXQOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-18-11-4-15-13(16-5-11)19-10-2-3-17(7-10)8-12-6-14-9-20-12/h4-6,9-10H,2-3,7-8H2,1H3.
What are the key properties of 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 292.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 163350350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).