3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole

C13H14FN3OS2 — CID 175381919

IUPAC3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole
SMILESCCOc1c(F)c(SC)c(N2C=CSC2)c2cn[nH]c12
InChIInChI=1S/C13H14FN3OS2/c1-3-18-12-9(14)13(19-2)11(17-4-5-20-7-17)8-6-15-16-10(8)12/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyJSSAOOQRVNJMAR-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.80
Rot. Bonds4

About 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole

3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole (PubChem CID 175381919) has the molecular formula C13H14FN3OS2 and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole
PubChem CID175381919
Molecular FormulaC13H14FN3OS2
Molecular Weight311.41 g/mol
Exact Mass311.06
IUPAC Name3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole
SMILESCCOc1c(F)c(SC)c(N2C=CSC2)c2cn[nH]c12
InChIInChI=1S/C13H14FN3OS2/c1-3-18-12-9(14)13(19-2)11(17-4-5-20-7-17)8-6-15-16-10(8)12/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyJSSAOOQRVNJMAR-UHFFFAOYSA-N
XLogP3.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N,N,5-trimethyl-4-(2H-1,3-thiazol-3-yl)-1H-indazol-7-amine
CID 175381914
cis-(1S,2S)-N-[6-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 165086229
4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
CID 163220447
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
CID 164893633
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220898
5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
CID 175750890
cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520531
1-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 46928370
2-ethoxy-3,4-difluoroaniline
CID 22118017
2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine
CID 139359835
ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
CID 171106825

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole?
The IUPAC name of 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole (CID 175381919) is 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole?
The canonical SMILES for 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole is CCOc1c(F)c(SC)c(N2C=CSC2)c2cn[nH]c12.
What is the InChIKey of 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole?
The InChIKey is JSSAOOQRVNJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS2/c1-3-18-12-9(14)13(19-2)11(17-4-5-20-7-17)8-6-15-16-10(8)12/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole?
3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethoxy-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl)-2H-1,3-thiazole is sourced from PubChem (CID 175381919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).