6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol

C12H10F2N2O2S — CID 102284034

IUPAC6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
SMILESCON1CC(O)(c2nccs2)c2ccc(F)c(F)c21
InChIInChI=1S/C12H10F2N2O2S/c1-18-16-6-12(17,11-15-4-5-19-11)7-2-3-8(13)9(14)10(7)16/h2-5,17H,6H2,1H3
InChIKeyHIYSRPQENDDHPG-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.04
Rot. Bonds2

About 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol

6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol (PubChem CID 102284034) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol.

Molecular Properties

Compound Name6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
PubChem CID102284034
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
SMILESCON1CC(O)(c2nccs2)c2ccc(F)c(F)c21
InChIInChI=1S/C12H10F2N2O2S/c1-18-16-6-12(17,11-15-4-5-19-11)7-2-3-8(13)9(14)10(7)16/h2-5,17H,6H2,1H3
InChIKeyHIYSRPQENDDHPG-UHFFFAOYSA-N
XLogP2.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-difluoro-1-(2-hydroxyethyl)-3-(1,3-thiazol-2-yl)-2H-indol-3-ol
CID 102284035
1-methyl-3-(1,3-thiazol-2-yl)azetidin-3-ol
CID 67481659
5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
CID 116531560
2-(3-methyloxetan-3-yl)-1,3-thiazole
CID 58513727
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185
methyl (1R,2R,4S)-4-hydroxy-2-methyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 67431211
2-(2-methyloxiran-2-yl)-1,3-thiazole
CID 45121806
4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexan-1-one
CID 59017437
1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130632851
methyl (6S)-6-amino-1-(1,3-thiazol-2-yl)-3-(2,3,4-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 126756660
ethyl 2',3',4',5'-tetrafluoro-6-(methoxycarbonylamino)-1-(1,3-thiazol-2-yl)spiro[6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-3,1'-indene]-4-carboxylate
CID 144966228

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The IUPAC name of 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol (CID 102284034) is 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol.
What is the SMILES notation for 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The canonical SMILES for 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol is CON1CC(O)(c2nccs2)c2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
The InChIKey is HIYSRPQENDDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-18-16-6-12(17,11-15-4-5-19-11)7-2-3-8(13)9(14)10(7)16/h2-5,17H,6H2,1H3.
What are the key properties of 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol?
6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol has a molecular weight of 284.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-methoxy-3-(1,3-thiazol-2-yl)-2H-indol-3-ol is sourced from PubChem (CID 102284034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).