2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid

C23H23ClN2O3S — CID 11619147

IUPAC2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2CC(=O)O
InChIInChI=1S/C23H23ClN2O3S/c1-12(2)29-22-19(24)8-15(10-25-22)20-11-26-23(30-20)17-6-7-18-14(9-21(27)28)4-5-16(18)13(17)3/h6-8,10-12,14H,4-5,9H2,1-3H3,(H,27,28)
InChIKeyDHRWLLOXZAFWPG-UHFFFAOYSA-N
MW442.97 g/mol
LogP6.13
Rot. Bonds6

About 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 11619147) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID11619147
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2CC(=O)O
InChIInChI=1S/C23H23ClN2O3S/c1-12(2)29-22-19(24)8-15(10-25-22)20-11-26-23(30-20)17-6-7-18-14(9-21(27)28)4-5-16(18)13(17)3/h6-8,10-12,14H,4-5,9H2,1-3H3,(H,27,28)
InChIKeyDHRWLLOXZAFWPG-UHFFFAOYSA-N
XLogP6.13
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 11619147) is 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid is Cc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2CC(=O)O.
What is the InChIKey of 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is DHRWLLOXZAFWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-12(2)29-22-19(24)8-15(10-25-22)20-11-26-23(30-20)17-6-7-18-14(9-21(27)28)4-5-16(18)13(17)3/h6-8,10-12,14H,4-5,9H2,1-3H3,(H,27,28).
What are the key properties of 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 442.97 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 11619147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).