N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide

C11H16N2O2S — CID 90013649

IUPACN-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nccs1)NCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c14-10(3-4-11-12-5-7-16-11)13-8-9-2-1-6-15-9/h5,7,9H,1-4,6,8H2,(H,13,14)
InChIKeyGZXRENVRCJJNOE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.37
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 90013649) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
PubChem CID90013649
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nccs1)NCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c14-10(3-4-11-12-5-7-16-11)13-8-9-2-1-6-15-9/h5,7,9H,1-4,6,8H2,(H,13,14)
InChIKeyGZXRENVRCJJNOE-UHFFFAOYSA-N
XLogP1.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N'-[[(2S)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 7224314
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851295
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
CID 136858480
N-[[(2R)-oxolan-2-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2504910
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide (CID 90013649) is N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide is O=C(CCc1nccs1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GZXRENVRCJJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-10(3-4-11-12-5-7-16-11)13-8-9-2-1-6-15-9/h5,7,9H,1-4,6,8H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 90013649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).