5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

C15H17FN2OS — CID 116531560

IUPAC5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESCOCCNC1(c2nccs2)CCc2cc(F)ccc21
InChIInChI=1S/C15H17FN2OS/c1-19-8-6-18-15(14-17-7-9-20-14)5-4-11-10-12(16)2-3-13(11)15/h2-3,7,9-10,18H,4-6,8H2,1H3
InChIKeyHEIYLLFUOTZZGJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds5

About 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (PubChem CID 116531560) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
PubChem CID116531560
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESCOCCNC1(c2nccs2)CCc2cc(F)ccc21
InChIInChI=1S/C15H17FN2OS/c1-19-8-6-18-15(14-17-7-9-20-14)5-4-11-10-12(16)2-3-13(11)15/h2-3,7,9-10,18H,4-6,8H2,1H3
InChIKeyHEIYLLFUOTZZGJ-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
CID 116531556
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine
CID 116531552
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65074915
4-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62542779
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64514523
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758236
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65090297
methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate
CID 116532392
1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
CID 111916297
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 62542274
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (CID 116531560) is 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is COCCNC1(c2nccs2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The InChIKey is HEIYLLFUOTZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-19-8-6-18-15(14-17-7-9-20-14)5-4-11-10-12(16)2-3-13(11)15/h2-3,7,9-10,18H,4-6,8H2,1H3.
What are the key properties of 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine has a molecular weight of 292.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).