2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde

C12H7FN2OS — CID 82384623

IUPAC2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc3cc(F)ccc3[nH]2)s1
InChIInChI=1S/C12H7FN2OS/c13-8-1-2-10-7(3-8)4-11(15-10)12-14-5-9(6-16)17-12/h1-6,15H
InChIKeySFZWKMPIFJSMDZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.24
Rot. Bonds2

About 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde

2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 82384623) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID82384623
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC Name2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc3cc(F)ccc3[nH]2)s1
InChIInChI=1S/C12H7FN2OS/c13-8-1-2-10-7(3-8)4-11(15-10)12-14-5-9(6-16)17-12/h1-6,15H
InChIKeySFZWKMPIFJSMDZ-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
CID 113291987
2-(2,4-difluorophenyl)-5-fluoro-1H-indole
CID 131887083
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine
CID 82385244
2-(2-bromophenyl)-5-fluoro-1H-indole
CID 131887074
4-(5-fluoro-1H-indol-2-yl)furan-3-carboxylic acid
CID 82385331
2-(2-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
CID 145057906

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde (CID 82384623) is 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cc3cc(F)ccc3[nH]2)s1.
What is the InChIKey of 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SFZWKMPIFJSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-8-1-2-10-7(3-8)4-11(15-10)12-14-5-9(6-16)17-12/h1-6,15H.
What are the key properties of 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 246.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82384623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).