2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C19H16NO4S- — CID 7745227

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1ccccc1
InChIInChI=1S/C19H17NO4S/c1-12-17(19(21)22)25-18(20-12)14-8-9-15(16(10-14)23-2)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,22)/p-1
InChIKeyMAWLLWOGCZCGNW-UHFFFAOYSA-M
MW354.41 g/mol
LogP3.07
Rot. Bonds6

About 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7745227) has the molecular formula C19H16NO4S- and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7745227
Molecular FormulaC19H16NO4S-
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1ccccc1
InChIInChI=1S/C19H17NO4S/c1-12-17(19(21)22)25-18(20-12)14-8-9-15(16(10-14)23-2)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,22)/p-1
InChIKeyMAWLLWOGCZCGNW-UHFFFAOYSA-M
XLogP3.07
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7895978
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7745333
4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895985
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990695
2-(3-ethoxy-4-phenylmethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20993409
2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 51229118
4-ethyl-2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-5-carboxylic acid
CID 20987877
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 7745227) is 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is COc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MAWLLWOGCZCGNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO4S/c1-12-17(19(21)22)25-18(20-12)14-8-9-15(16(10-14)23-2)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,22)/p-1.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7745227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).