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

C20H21N3O2S — CID 23646354

IUPAC(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeySNMREYXKHOXAHO-AWEZNQCLSA-N
MW367.47 g/mol
LogP3.60
Rot. Bonds7

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

(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23646354) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23646354
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeySNMREYXKHOXAHO-AWEZNQCLSA-N
XLogP3.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119304392
(2S)-2-amino-N-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 167771655
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 61474780
(2R)-2-amino-N-phenylpropanamide
CID 10607114
[4-[[2-acetamido-4-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]phenyl]methanesulfinate
CID 174485516
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide (CID 23646354) is (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SNMREYXKHOXAHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 3.60, 7 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-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23646354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).