N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C19H21N3OS — CID 97333419

IUPACN-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(CN[C@@H](C)c2cccc3ccccc23)cs1
InChIInChI=1S/C19H21N3OS/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-11-15-12-24-19(22-15)10-18(23)20-2/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyBYXARNRHHZDDHO-ZDUSSCGKSA-N
MW339.46 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 97333419) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID97333419
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(CN[C@@H](C)c2cccc3ccccc23)cs1
InChIInChI=1S/C19H21N3OS/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-11-15-12-24-19(22-15)10-18(23)20-2/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyBYXARNRHHZDDHO-ZDUSSCGKSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-[4-[(1-naphthalen-1-ylethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 85000604
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
CID 82155136
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 99634670
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 102221604
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103257697

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 97333419) is N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CNC(=O)Cc1nc(CN[C@@H](C)c2cccc3ccccc23)cs1.
What is the InChIKey of N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BYXARNRHHZDDHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-11-15-12-24-19(22-15)10-18(23)20-2/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 97333419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).