4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid

C15H17NO3S — CID 83969621

IUPAC4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2ccc(OC)cc2C)sc1C(=O)O
InChIInChI=1S/C15H17NO3S/c1-4-12-14(15(17)18)20-13(16-12)8-10-5-6-11(19-3)7-9(10)2/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyDNMZVVSREWPQKD-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.31
Rot. Bonds5

About 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid

4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 83969621) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID83969621
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2ccc(OC)cc2C)sc1C(=O)O
InChIInChI=1S/C15H17NO3S/c1-4-12-14(15(17)18)20-13(16-12)8-10-5-6-11(19-3)7-9(10)2/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyDNMZVVSREWPQKD-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82154201
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 83969610
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22686061
4-ethyl-2-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984956
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760915

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid (CID 83969621) is 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid is CCc1nc(Cc2ccc(OC)cc2C)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is DNMZVVSREWPQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-12-14(15(17)18)20-13(16-12)8-10-5-6-11(19-3)7-9(10)2/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83969621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).