1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

C14H15N3O2S — CID 75510327

IUPAC1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1cncs1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H15N3O2S/c18-14(19-9-12-8-15-10-20-12)11-3-4-13(16-7-11)17-5-1-2-6-17/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyWYMWWRRSAXLXSW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.50
Rot. Bonds4

About 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 75510327) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID75510327
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1cncs1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H15N3O2S/c18-14(19-9-12-8-15-10-20-12)11-3-4-13(16-7-11)17-5-1-2-6-17/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyWYMWWRRSAXLXSW-UHFFFAOYSA-N
XLogP2.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (CID 75510327) is 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCc1cncs1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is WYMWWRRSAXLXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(19-9-12-8-15-10-20-12)11-3-4-13(16-7-11)17-5-1-2-6-17/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 75510327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).