methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate

C13H11NO2S — CID 61336123

IUPACmethyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C13H11NO2S/c1-16-12(15)7-11-14-13-9-5-3-2-4-8(9)6-10(13)17-11/h2-5H,6-7H2,1H3
InChIKeyMXKLYDUAZMPYGR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.43
Rot. Bonds2

About methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate

methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate (PubChem CID 61336123) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
PubChem CID61336123
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Namemethyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C13H11NO2S/c1-16-12(15)7-11-14-13-9-5-3-2-4-8(9)6-10(13)17-11/h2-5H,6-7H2,1H3
InChIKeyMXKLYDUAZMPYGR-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate
CID 61333975
2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone
CID 18940973
1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)propan-2-amine
CID 62652857
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848146
ethyl 2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetate
CID 28942113
ethyl 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate
CID 29016564
but-2-enedioic acid;2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-4H-indeno[1,2-d][1,3]thiazole
CID 67758505
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-3-phenoxypropanamide
CID 5093075
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849396
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole
CID 19417719
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
CID 7533037
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
CID 61334161

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate (CID 61336123) is methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate is COC(=O)Cc1nc2c(s1)Cc1ccccc1-2.
What is the InChIKey of methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate?
The InChIKey is MXKLYDUAZMPYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-16-12(15)7-11-14-13-9-5-3-2-4-8(9)6-10(13)17-11/h2-5H,6-7H2,1H3.
What are the key properties of methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate?
methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate has a molecular weight of 245.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate is sourced from PubChem (CID 61336123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).