2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C11H8NO3S- — CID 6933840

IUPAC2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1
InChIKeyOIBLFOXWCGIRIQ-UHFFFAOYSA-M
MW234.26 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 6933840) has the molecular formula C11H8NO3S- and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID6933840
Molecular FormulaC11H8NO3S-
Molecular Weight234.26 g/mol
Exact Mass234.02
IUPAC Name2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1
InChIKeyOIBLFOXWCGIRIQ-UHFFFAOYSA-M
XLogP1.18
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
[(1S)-1-cyanoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135748
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
methyl 2-[2-[[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 170970129
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 75395541
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 6933840) is 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COc1ccc(-c2nc(C(=O)[O-])cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is OIBLFOXWCGIRIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1.
What are the key properties of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 6933840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).