(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone

C20H16F2N2O2S — CID 112834068

IUPAC(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCc4c(F)cc(F)cc43)cs2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-2-26-14-5-3-12(4-6-14)19-23-17(11-27-19)20(25)24-8-7-15-16(22)9-13(21)10-18(15)24/h3-6,9-11H,2,7-8H2,1H3
InChIKeyVNPVMUKOUGCEIG-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.69
Rot. Bonds4

About (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone

(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 112834068) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID112834068
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCc4c(F)cc(F)cc43)cs2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-2-26-14-5-3-12(4-6-14)19-23-17(11-27-19)20(25)24-8-7-15-16(22)9-13(21)10-18(15)24/h3-6,9-11H,2,7-8H2,1H3
InChIKeyVNPVMUKOUGCEIG-UHFFFAOYSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
(2-ethoxyphenyl)-[4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 78892405
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119661713
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55629311
(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 167973884

Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone (CID 112834068) is (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone is CCOc1ccc(-c2nc(C(=O)N3CCc4c(F)cc(F)cc43)cs2)cc1.
What is the InChIKey of (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is VNPVMUKOUGCEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-2-26-14-5-3-12(4-6-14)19-23-17(11-27-19)20(25)24-8-7-15-16(22)9-13(21)10-18(15)24/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone?
(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 112834068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).