3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide

C13H16N2O2S2 — CID 51599136

IUPAC3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
SMILESCOCCC(=O)N[C@@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C13H16N2O2S2/c1-17-6-4-12(16)15-11(13-14-5-8-19-13)9-10-3-2-7-18-10/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGNIMHPZSXRLOMB-NSHDSACASA-N
MW296.42 g/mol
LogP2.64
Rot. Bonds7

About 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide

3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 51599136) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
PubChem CID51599136
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
SMILESCOCCC(=O)N[C@@H](Cc1cccs1)c1nccs1
InChIInChI=1S/C13H16N2O2S2/c1-17-6-4-12(16)15-11(13-14-5-8-19-13)9-10-3-2-7-18-10/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGNIMHPZSXRLOMB-NSHDSACASA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide (CID 51599136) is 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide is COCCC(=O)N[C@@H](Cc1cccs1)c1nccs1.
What is the InChIKey of 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is GNIMHPZSXRLOMB-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-17-6-4-12(16)15-11(13-14-5-8-19-13)9-10-3-2-7-18-10/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide?
3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 296.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 51599136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).