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

C13H11NO3S — CID 116965649

IUPAC2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H11NO3S/c15-13(16)6-12-14-10(7-18-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5,7H,3-4,6H2,(H,15,16)
InChIKeyFOWQXEQKXVWGJH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.37
Rot. Bonds3

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

2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 116965649) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID116965649
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H11NO3S/c15-13(16)6-12-14-10(7-18-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5,7H,3-4,6H2,(H,15,16)
InChIKeyFOWQXEQKXVWGJH-UHFFFAOYSA-N
XLogP2.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
CID 159256452
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid (CID 116965649) is 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is FOWQXEQKXVWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(16)6-12-14-10(7-18-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5,7H,3-4,6H2,(H,15,16).
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 261.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 116965649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).