2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid

C14H13NO2S — CID 116852061

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H13NO2S/c16-13(17)7-12-8-15-14(18-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,17)
InChIKeyRTLLSVCXGBJQNQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.93
Rot. Bonds3

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

2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 116852061) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID116852061
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H13NO2S/c16-13(17)7-12-8-15-14(18-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,17)
InChIKeyRTLLSVCXGBJQNQ-UHFFFAOYSA-N
XLogP2.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid (CID 116852061) is 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(-c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RTLLSVCXGBJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-13(17)7-12-8-15-14(18-12)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,17).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 259.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 116852061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).