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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Related Compounds

3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
1-[2,3-Dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384081
2-Methyl-1-[2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 57396546
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
[4-[2-[3-[2-(2-Methyl-1,3-thiazol-4-yl)ethynyl]phenoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 137645603
Methyl 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 67914604
3-Fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 116451779
(2-Fluorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8406660
(3-Fluorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8407210
[4-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]-phenylmethanone
CID 16624721
3-[[2-(Fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
CID 19901153
(7-Fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 24529660

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).