ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate

C19H25NO3S — CID 161136638

IUPACethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CCCCCc2ccc(OC)cc2)sc1C
InChIInChI=1S/C19H25NO3S/c1-4-23-19(21)18-14(2)24-17(20-18)9-7-5-6-8-15-10-12-16(22-3)13-11-15/h10-13H,4-9H2,1-3H3
InChIKeyUMWQORPONRCXJH-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.59
Rot. Bonds9

About ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 161136638) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID161136638
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Nameethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CCCCCc2ccc(OC)cc2)sc1C
InChIInChI=1S/C19H25NO3S/c1-4-23-19(21)18-14(2)24-17(20-18)9-7-5-6-8-15-10-12-16(22-3)13-11-15/h10-13H,4-9H2,1-3H3
InChIKeyUMWQORPONRCXJH-UHFFFAOYSA-N
XLogP4.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348151
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 2-[5-[2-fluoro-5-(trifluoromethyl)phenyl]pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161267205
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-[[[3,5-dimethoxy-4-(methoxymethyl)benzoyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348266
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
5-(4-methoxyphenyl)pentanamide
CID 134389506
ethyl 2-[[3-(3-fluorophenyl)propylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70349122
ethyl 2-[[3-(3-chlorophenyl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 161136638) is ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CCCCCc2ccc(OC)cc2)sc1C.
What is the InChIKey of ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UMWQORPONRCXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-4-23-19(21)18-14(2)24-17(20-18)9-7-5-6-8-15-10-12-16(22-3)13-11-15/h10-13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 161136638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).