2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid

C16H18N2O2S — CID 82032254

IUPAC2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1Cc2ccccc2N1CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-15-17-13(10-21-15)9-16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyCYEGOUBHWSDFCL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82032254) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82032254
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1Cc2ccccc2N1CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-15-17-13(10-21-15)9-16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyCYEGOUBHWSDFCL-UHFFFAOYSA-N
XLogP2.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 82032254) is 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid is CC1Cc2ccccc2N1CCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CYEGOUBHWSDFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-8-12-4-2-3-5-14(12)18(11)7-6-15-17-13(10-21-15)9-16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 302.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82032254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).