4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate

C23H24NO3S- — CID 7745336

IUPAC4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
SMILESCCC(C)(C)c1ccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)cc1
InChIInChI=1S/C23H25NO3S/c1-5-23(3,4)18-10-12-19(13-11-18)27-14-16-6-8-17(9-7-16)21-24-15(2)20(28-21)22(25)26/h6-13H,5,14H2,1-4H3,(H,25,26)/p-1
InChIKeyHSBGXLBFBCGJQE-UHFFFAOYSA-M
MW394.52 g/mol
LogP4.75
Rot. Bonds7

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

4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 7745336) has the molecular formula C23H24NO3S- and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
PubChem CID7745336
Molecular FormulaC23H24NO3S-
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC Name4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
SMILESCCC(C)(C)c1ccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)cc1
InChIInChI=1S/C23H25NO3S/c1-5-23(3,4)18-10-12-19(13-11-18)27-14-16-6-8-17(9-7-16)21-24-15(2)20(28-21)22(25)26/h6-13H,5,14H2,1-4H3,(H,25,26)/p-1
InChIKeyHSBGXLBFBCGJQE-UHFFFAOYSA-M
XLogP4.75
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895985
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
2-[4-[3-(dimethylazaniumyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 42261961
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-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980611
4-methyl-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20990595
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate (CID 7745336) is 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate is CCC(C)(C)c1ccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)cc1.
What is the InChIKey of 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is HSBGXLBFBCGJQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25NO3S/c1-5-23(3,4)18-10-12-19(13-11-18)27-14-16-6-8-17(9-7-16)21-24-15(2)20(28-21)22(25)26/h6-13H,5,14H2,1-4H3,(H,25,26)/p-1.
What are the key properties of 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).