N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C18H21N5O2S — CID 55800466

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C18H21N5O2S/c1-22(2)12-17(25)20-14-5-3-4-13(8-14)10-19-16(24)9-15-11-23-6-7-26-18(23)21-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJPICAGLNMQLBSQ-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.75
Rot. Bonds7

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 55800466) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID55800466
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C18H21N5O2S/c1-22(2)12-17(25)20-14-5-3-4-13(8-14)10-19-16(24)9-15-11-23-6-7-26-18(23)21-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJPICAGLNMQLBSQ-UHFFFAOYSA-N
XLogP1.75
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide with MolForge

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Related Compounds

N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 51115677
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55797120
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 40723014
[2-(3-methoxyanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817579
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 55800466) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CN(C)CC(=O)Nc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is JPICAGLNMQLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-22(2)12-17(25)20-14-5-3-4-13(8-14)10-19-16(24)9-15-11-23-6-7-26-18(23)21-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 371.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 55800466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).