2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide

C20H27N3O4S — CID 3277643

IUPAC2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(CN(CCCOC)C(=O)c2ccccc2)n1
InChIInChI=1S/C20H27N3O4S/c1-26-12-6-10-21-19(24)17-15-28-18(22-17)14-23(11-7-13-27-2)20(25)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,21,24)
InChIKeyWQAXQHGSCXWFSS-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.59
Rot. Bonds12

About 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide

2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 3277643) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID3277643
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(CN(CCCOC)C(=O)c2ccccc2)n1
InChIInChI=1S/C20H27N3O4S/c1-26-12-6-10-21-19(24)17-15-28-18(22-17)14-23(11-7-13-27-2)20(25)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,21,24)
InChIKeyWQAXQHGSCXWFSS-UHFFFAOYSA-N
XLogP2.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.59
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-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4991608
2-[[(2-chloro-2-phenylacetyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 4637822
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-[[(3,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 5126664
2-[[benzoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195929
N-butyl-2-[[butyl-(3-chlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4645719
methyl 2-[[(2,6-dimethoxybenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3994386
2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 42765568
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5219781
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 3627773
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502

Frequently Asked Questions

What is the IUPAC name of 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide (CID 3277643) is 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide is COCCCNC(=O)c1csc(CN(CCCOC)C(=O)c2ccccc2)n1.
What is the InChIKey of 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WQAXQHGSCXWFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-26-12-6-10-21-19(24)17-15-28-18(22-17)14-23(11-7-13-27-2)20(25)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,21,24).
What are the key properties of 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide?
2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3277643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).