4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate

C19H16NO3S- — CID 7745349

IUPAC4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
SMILESCc1cccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-12-4-3-5-16(10-12)23-11-14-6-8-15(9-7-14)18-20-13(2)17(24-18)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)/p-1
InChIKeyIKWBPCRYPZQQCG-UHFFFAOYSA-M
MW338.41 g/mol
LogP3.37
Rot. Bonds5

About 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate

4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 7745349) has the molecular formula C19H16NO3S- and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
PubChem CID7745349
Molecular FormulaC19H16NO3S-
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
SMILESCc1cccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-12-4-3-5-16(10-12)23-11-14-6-8-15(9-7-14)18-20-13(2)17(24-18)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)/p-1
InChIKeyIKWBPCRYPZQQCG-UHFFFAOYSA-M
XLogP3.37
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methoxyphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980611
4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895985
4-methyl-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20990595
4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745336
2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 24514098
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7745333
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55516245
4-methyl-2-[4-[(2,3,5-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid
CID 4980614
2-[4-[3-(dimethylazaniumyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 42261961

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate (CID 7745349) is 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate is Cc1cccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)c1.
What is the InChIKey of 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is IKWBPCRYPZQQCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO3S/c1-12-4-3-5-16(10-12)23-11-14-6-8-15(9-7-14)18-20-13(2)17(24-18)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)/p-1.
What are the key properties of 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).