2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide

C17H21N3O3S — CID 126837098

IUPAC2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCC(OCC1CCCO1)C(=O)NCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H21N3O3S/c1-12(23-10-13-5-4-8-22-13)17(21)19-9-16-20-15(11-24-16)14-6-2-3-7-18-14/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyIJYMMJAUIONHFU-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.41
Rot. Bonds7

About 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide

2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 126837098) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID126837098
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCC(OCC1CCCO1)C(=O)NCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H21N3O3S/c1-12(23-10-13-5-4-8-22-13)17(21)19-9-16-20-15(11-24-16)14-6-2-3-7-18-14/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyIJYMMJAUIONHFU-UHFFFAOYSA-N
XLogP2.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103423
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 95348639
(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94814555
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide (CID 126837098) is 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide is CC(OCC1CCCO1)C(=O)NCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is IJYMMJAUIONHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(23-10-13-5-4-8-22-13)17(21)19-9-16-20-15(11-24-16)14-6-2-3-7-18-14/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,19,21).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide?
2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 126837098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).