ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate

C24H32N2O5S — CID 55478680

IUPACethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate
SMILESCCCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C24H32N2O5S/c1-4-6-7-14-26(24-25-17(3)21(32-24)23(28)29-5-2)22(27)18-10-12-19(13-11-18)31-16-20-9-8-15-30-20/h10-13,20H,4-9,14-16H2,1-3H3
InChIKeyCNXKEQOZHKRYKN-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.02
Rot. Bonds11

About ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate (PubChem CID 55478680) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate
PubChem CID55478680
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Nameethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate
SMILESCCCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C24H32N2O5S/c1-4-6-7-14-26(24-25-17(3)21(32-24)23(28)29-5-2)22(27)18-10-12-19(13-11-18)31-16-20-9-8-15-30-20/h10-13,20H,4-9,14-16H2,1-3H3
InChIKeyCNXKEQOZHKRYKN-UHFFFAOYSA-N
XLogP5.02
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
CID 51852810
ethyl 2-[(2,3-dimethylbenzoyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60553070
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478355
ethyl 2-[2,3-dihydro-1-benzofuran-2-carbonyl(pentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478685
ethyl 2-[(1,1-dioxothiolane-3-carbonyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478524
ethyl 2-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55758341
ethyl 2-[[4-(2-methoxyethylamino)-3-nitrobenzoyl]-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55477766
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
ethyl 2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55579907
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
CID 112794067
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate (CID 55478680) is ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate is CCCCCN(C(=O)c1ccc(OCC2CCCO2)cc1)c1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is CNXKEQOZHKRYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-4-6-7-14-26(24-25-17(3)21(32-24)23(28)29-5-2)22(27)18-10-12-19(13-11-18)31-16-20-9-8-15-30-20/h10-13,20H,4-9,14-16H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 460.60 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55478680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).