ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate

C16H19NO3S — CID 131867605

IUPACethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCCc1ccc(-c2nc(OC)sc2C(=O)OCC)cc1
InChIInChI=1S/C16H19NO3S/c1-4-6-11-7-9-12(10-8-11)13-14(15(18)20-5-2)21-16(17-13)19-3/h7-10H,4-6H2,1-3H3
InChIKeyHERZZRSEFIZNFL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.95
Rot. Bonds6

About ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate

ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 131867605) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID131867605
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCCc1ccc(-c2nc(OC)sc2C(=O)OCC)cc1
InChIInChI=1S/C16H19NO3S/c1-4-6-11-7-9-12(10-8-11)13-14(15(18)20-5-2)21-16(17-13)19-3/h7-10H,4-6H2,1-3H3
InChIKeyHERZZRSEFIZNFL-UHFFFAOYSA-N
XLogP3.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
CID 5180789
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
ethyl 2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16848085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate (CID 131867605) is ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate is CCCc1ccc(-c2nc(OC)sc2C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HERZZRSEFIZNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-6-11-7-9-12(10-8-11)13-14(15(18)20-5-2)21-16(17-13)19-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 131867605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).