(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C12H20N2O2S — CID 126449872

IUPAC(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1sc(C)nc1CC
InChIInChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)7-13-12(15)8(3)16-6-2/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyLDYNPLDCJPRSAR-QMMMGPOBSA-N
MW256.37 g/mol
LogP2.06
Rot. Bonds6

About (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide

(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 126449872) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID126449872
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1sc(C)nc1CC
InChIInChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)7-13-12(15)8(3)16-6-2/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyLDYNPLDCJPRSAR-QMMMGPOBSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 126449872) is (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide is CCO[C@@H](C)C(=O)NCc1sc(C)nc1CC.
What is the InChIKey of (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is LDYNPLDCJPRSAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)7-13-12(15)8(3)16-6-2/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 256.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 126449872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).