1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

C18H17FN2O2S — CID 58217479

IUPAC1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CC2CCCO2)c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O2S/c19-12-3-4-14-15(17(22)9-18-20-5-7-24-18)11-21(16(14)8-12)10-13-2-1-6-23-13/h3-5,7-8,11,13H,1-2,6,9-10H2
InChIKeyKRHUZKXPRCMVMW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.84
Rot. Bonds5

About 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone

1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58217479) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58217479
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cn(CC2CCCO2)c2cc(F)ccc12
InChIInChI=1S/C18H17FN2O2S/c19-12-3-4-14-15(17(22)9-18-20-5-7-24-18)11-21(16(14)8-12)10-13-2-1-6-23-13/h3-5,7-8,11,13H,1-2,6,9-10H2
InChIKeyKRHUZKXPRCMVMW-UHFFFAOYSA-N
XLogP3.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(cyclopropylmethyl)-6-(hydroxymethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217471
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
2-[[5-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 26093901
[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 67269806
3-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 24533866
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
2-(2-bromo-4-fluorophenoxy)-1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 34650775
ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
CID 144653790
N-(2,4-difluorophenyl)-2-[7,12-dioxo-8-[[(2S)-oxolan-2-yl]methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide
CID 95113604

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone (CID 58217479) is 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1cn(CC2CCCO2)c2cc(F)ccc12.
What is the InChIKey of 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is KRHUZKXPRCMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-12-3-4-14-15(17(22)9-18-20-5-7-24-18)11-21(16(14)8-12)10-13-2-1-6-23-13/h3-5,7-8,11,13H,1-2,6,9-10H2.
What are the key properties of 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone?
1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-1-(oxolan-2-ylmethyl)indol-3-yl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58217479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).