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

C24H23N3O2S — CID 23646356

IUPAC(2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1
InChIInChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1
InChIKeyDHZMJXAYZVBSIS-INIZCTEOSA-N
MW417.53 g/mol
LogP4.75
Rot. Bonds7

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

(2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23646356) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23646356
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name(2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1
InChIInChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1
InChIKeyDHZMJXAYZVBSIS-INIZCTEOSA-N
XLogP4.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
CID 23646354
(2S)-2-amino-N-{5-benzyl-4-[(benzyloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646355
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
CID 2124858
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3604644
(2S)-2-amino-N-{5-benzyl-4-[(naphthalen-2-yloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646357
(2S)-2-amino-N-{5-benzyl-4-[(2,3-dihydro-1H-inden-2-yloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646358
N-{4-[(2-naphthyloxy)methyl]-1,3-thiazol-2-yl}acetamide
CID 830442
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 16016013
Ethyl 5-methyl-2-(((1-naphthyloxy)acetyl)amino)-1,3-thiazole-4-carboxylate
CID 3735704
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 43836639
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4450515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide (CID 23646356) is (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DHZMJXAYZVBSIS-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[5-benzyl-4-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 4.75, 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-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23646356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).