2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone

C16H19N3OS — CID 110389490

IUPAC2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(CCc2ccccn2)n1)N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-9-3-4-10-19)11-14-12-21-15(18-14)7-6-13-5-1-2-8-17-13/h1-2,5,8,12H,3-4,6-7,9-11H2
InChIKeyJPVGPJHAVMGMNI-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone

2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 110389490) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID110389490
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(CCc2ccccn2)n1)N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-9-3-4-10-19)11-14-12-21-15(18-14)7-6-13-5-1-2-8-17-13/h1-2,5,8,12H,3-4,6-7,9-11H2
InChIKeyJPVGPJHAVMGMNI-UHFFFAOYSA-N
XLogP2.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]ethanone
CID 110389506
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110342050
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 50753784
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone (CID 110389490) is 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone is O=C(Cc1csc(CCc2ccccn2)n1)N1CCCC1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JPVGPJHAVMGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(19-9-3-4-10-19)11-14-12-21-15(18-14)7-6-13-5-1-2-8-17-13/h1-2,5,8,12H,3-4,6-7,9-11H2.
What are the key properties of 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 301.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110389490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).