5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one

C14H13NO2S — CID 99823349

IUPAC5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1csc(COc2ccc3c(c2)CCC3=O)n1
InChIInChI=1S/C14H13NO2S/c1-9-8-18-14(15-9)7-17-11-3-4-12-10(6-11)2-5-13(12)16/h3-4,6,8H,2,5,7H2,1H3
InChIKeyRXCMSDIIWLXTQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.16
Rot. Bonds3

About 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one

5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 99823349) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one
PubChem CID99823349
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one
SMILESCc1csc(COc2ccc3c(c2)CCC3=O)n1
InChIInChI=1S/C14H13NO2S/c1-9-8-18-14(15-9)7-17-11-3-4-12-10(6-11)2-5-13(12)16/h3-4,6,8H,2,5,7H2,1H3
InChIKeyRXCMSDIIWLXTQP-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one (CID 99823349) is 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one is Cc1csc(COc2ccc3c(c2)CCC3=O)n1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is RXCMSDIIWLXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9-8-18-14(15-9)7-17-11-3-4-12-10(6-11)2-5-13(12)16/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one?
5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 259.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 99823349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).