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

C10H16N2O2S2 — CID 95281174

IUPAC(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCCO[C@@H](C)C(=O)Nc1nc(C)c(SC)s1
InChIInChI=1S/C10H16N2O2S2/c1-5-14-7(3)8(13)12-10-11-6(2)9(15-4)16-10/h7H,5H2,1-4H3,(H,11,12,13)/t7-/m0/s1
InChIKeyIXRPUCLIXCKJOV-ZETCQYMHSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds5

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

(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (PubChem CID 95281174) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
PubChem CID95281174
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCCO[C@@H](C)C(=O)Nc1nc(C)c(SC)s1
InChIInChI=1S/C10H16N2O2S2/c1-5-14-7(3)8(13)12-10-11-6(2)9(15-4)16-10/h7H,5H2,1-4H3,(H,11,12,13)/t7-/m0/s1
InChIKeyIXRPUCLIXCKJOV-ZETCQYMHSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (CID 95281174) is (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is CCO[C@@H](C)C(=O)Nc1nc(C)c(SC)s1.
What is the InChIKey of (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IXRPUCLIXCKJOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-5-14-7(3)8(13)12-10-11-6(2)9(15-4)16-10/h7H,5H2,1-4H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95281174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).