N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 99840633

IUPACN-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H](CNC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(11-6-4-3-5-7-11)8-15-14(17)12-9-19-10-16-12/h3-7,9-10,13H,2,8H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMGKFZJZXPWPIGU-ZDUSSCGKSA-N
MW276.36 g/mol
LogP2.65
Rot. Bonds6

About N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide

N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 99840633) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide
PubChem CID99840633
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H](CNC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(11-6-4-3-5-7-11)8-15-14(17)12-9-19-10-16-12/h3-7,9-10,13H,2,8H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMGKFZJZXPWPIGU-ZDUSSCGKSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide 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 N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide (CID 99840633) is N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide is CCO[C@@H](CNC(=O)c1cscn1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MGKFZJZXPWPIGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-13(11-6-4-3-5-7-11)8-15-14(17)12-9-19-10-16-12/h3-7,9-10,13H,2,8H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide?
N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethoxy-2-phenylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99840633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).