N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide

C20H27N3O4S — CID 4226699

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)COCc1ccccc1
InChIInChI=1S/C20H27N3O4S/c1-15-16(2)28-20(21-15)22-18(24)12-23(10-7-11-26-3)19(25)14-27-13-17-8-5-4-6-9-17/h4-6,8-9H,7,10-14H2,1-3H3,(H,21,22,24)
InChIKeyUQNRUQDLRAEQLP-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.78
Rot. Bonds11

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide (PubChem CID 4226699) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
PubChem CID4226699
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)COCc1ccccc1
InChIInChI=1S/C20H27N3O4S/c1-15-16(2)28-20(21-15)22-18(24)12-23(10-7-11-26-3)19(25)14-27-13-17-8-5-4-6-9-17/h4-6,8-9H,7,10-14H2,1-3H3,(H,21,22,24)
InChIKeyUQNRUQDLRAEQLP-UHFFFAOYSA-N
XLogP2.78
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 42771489
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3310913
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42771492
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide
CID 4166416
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-methoxybenzamide
CID 4638908
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3395199
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 4204800
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
CID 5212449
3-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-[2-(4-methoxyphenyl)acetyl]amino]propyl-dimethylazanium
CID 7283838
methyl 2-[[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4997781
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide (CID 4226699) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide is COCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)COCc1ccccc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide?
The InChIKey is UQNRUQDLRAEQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-15-16(2)28-20(21-15)22-18(24)12-23(10-7-11-26-3)19(25)14-27-13-17-8-5-4-6-9-17/h4-6,8-9H,7,10-14H2,1-3H3,(H,21,22,24).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide is sourced from PubChem (CID 4226699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).