2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C19H17NO4S2 — CID 127033239

IUPAC2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C19H17NO4S2/c1-11-17(26-19(20-11)12-4-5-25-10-12)9-23-14-2-3-15-13(6-18(21)22)8-24-16(15)7-14/h2-5,7,10,13H,6,8-9H2,1H3,(H,21,22)
InChIKeyMYTUSWJUIZROPQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.71
Rot. Bonds6

About 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 127033239) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID127033239
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C19H17NO4S2/c1-11-17(26-19(20-11)12-4-5-25-10-12)9-23-14-2-3-15-13(6-18(21)22)8-24-16(15)7-14/h2-5,7,10,13H,6,8-9H2,1H3,(H,21,22)
InChIKeyMYTUSWJUIZROPQ-UHFFFAOYSA-N
XLogP4.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 127033239) is 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is MYTUSWJUIZROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-11-17(26-19(20-11)12-4-5-25-10-12)9-23-14-2-3-15-13(6-18(21)22)8-24-16(15)7-14/h2-5,7,10,13H,6,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 387.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 127033239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).