(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide

C21H23N3O2S — CID 23646355

IUPAC(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyYBRWIUWQAJGHRM-HNNXBMFYSA-N
MW381.50 g/mol
LogP3.74
Rot. Bonds8

About (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide

(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23646355) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23646355
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyYBRWIUWQAJGHRM-HNNXBMFYSA-N
XLogP3.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-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-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide (CID 23646355) is (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YBRWIUWQAJGHRM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-benzyl-4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23646355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).