5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole

C15H16N2OS — CID 116624074

IUPAC5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc2c(ccn2Cc2cnc(C)s2)c1
InChIInChI=1S/C15H16N2OS/c1-3-18-13-4-5-15-12(8-13)6-7-17(15)10-14-9-16-11(2)19-14/h4-9H,3,10H2,1-2H3
InChIKeyFLNJQEVKSNZQIZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.85
Rot. Bonds4

About 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole

5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 116624074) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID116624074
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc2c(ccn2Cc2cnc(C)s2)c1
InChIInChI=1S/C15H16N2OS/c1-3-18-13-4-5-15-12(8-13)6-7-17(15)10-14-9-16-11(2)19-14/h4-9H,3,10H2,1-2H3
InChIKeyFLNJQEVKSNZQIZ-UHFFFAOYSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
CID 116624048
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carbonitrile
CID 114015637
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749308
3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 116623924
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole (CID 116624074) is 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole is CCOc1ccc2c(ccn2Cc2cnc(C)s2)c1.
What is the InChIKey of 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is FLNJQEVKSNZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-18-13-4-5-15-12(8-13)6-7-17(15)10-14-9-16-11(2)19-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole?
5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 272.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 116624074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).