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

C11H17ClN2O2S — CID 126450914

IUPAC(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCCc1nc(C)c(Cl)s1
InChIInChI=1S/C11H17ClN2O2S/c1-4-16-8(3)11(15)13-6-5-9-14-7(2)10(12)17-9/h8H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyIVBDNQRYCHHOHG-QMMMGPOBSA-N
MW276.79 g/mol
LogP2.19
Rot. Bonds6

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

(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide (PubChem CID 126450914) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide
PubChem CID126450914
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCCc1nc(C)c(Cl)s1
InChIInChI=1S/C11H17ClN2O2S/c1-4-16-8(3)11(15)13-6-5-9-14-7(2)10(12)17-9/h8H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyIVBDNQRYCHHOHG-QMMMGPOBSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide (CID 126450914) is (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NCCc1nc(C)c(Cl)s1.
What is the InChIKey of (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide?
The InChIKey is IVBDNQRYCHHOHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-16-8(3)11(15)13-6-5-9-14-7(2)10(12)17-9/h8H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide?
(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide has a molecular weight of 276.79 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 126450914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).