5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid

C17H13NO4S — CID 51135007

IUPAC5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCOc1cccc(/C=C/c2nc(-c3cc(C(=O)O)co3)cs2)c1
InChIInChI=1S/C17H13NO4S/c1-21-13-4-2-3-11(7-13)5-6-16-18-14(10-23-16)15-8-12(9-22-15)17(19)20/h2-10H,1H3,(H,19,20)/b6-5+
InChIKeyIWYDYYFIZVUUIY-AATRIKPKSA-N
MW327.36 g/mol
LogP4.28
Rot. Bonds5

About 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid

5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 51135007) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID51135007
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCOc1cccc(/C=C/c2nc(-c3cc(C(=O)O)co3)cs2)c1
InChIInChI=1S/C17H13NO4S/c1-21-13-4-2-3-11(7-13)5-6-16-18-14(10-23-16)15-8-12(9-22-15)17(19)20/h2-10H,1H3,(H,19,20)/b6-5+
InChIKeyIWYDYYFIZVUUIY-AATRIKPKSA-N
XLogP4.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72685777
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 51135007) is 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is COc1cccc(/C=C/c2nc(-c3cc(C(=O)O)co3)cs2)c1.
What is the InChIKey of 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is IWYDYYFIZVUUIY-AATRIKPKSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-21-13-4-2-3-11(7-13)5-6-16-18-14(10-23-16)15-8-12(9-22-15)17(19)20/h2-10H,1H3,(H,19,20)/b6-5+.
What are the key properties of 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 51135007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).