2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane

C18H19FN2O2S — CID 144795947

IUPAC2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane
SMILESCC.NCC(O)c1ccc2c(n1)-c1c(sc3c(F)cccc13)CO2
InChIInChI=1S/C16H13FN2O2S.C2H6/c17-9-3-1-2-8-14-13(22-16(8)9)7-21-12-5-4-10(11(20)6-18)19-15(12)14;1-2/h1-5,11,20H,6-7,18H2;1-2H3
InChIKeyUZRWVIGDSGUVPB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.01
Rot. Bonds2

About 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane

2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane (PubChem CID 144795947) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane.

Molecular Properties

Compound Name2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane
PubChem CID144795947
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane
SMILESCC.NCC(O)c1ccc2c(n1)-c1c(sc3c(F)cccc13)CO2
InChIInChI=1S/C16H13FN2O2S.C2H6/c17-9-3-1-2-8-14-13(22-16(8)9)7-21-12-5-4-10(11(20)6-18)19-15(12)14;1-2/h1-5,11,20H,6-7,18H2;1-2H3
InChIKeyUZRWVIGDSGUVPB-UHFFFAOYSA-N
XLogP4.01
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane?
The IUPAC name of 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane (CID 144795947) is 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane.
What is the SMILES notation for 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane?
The canonical SMILES for 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane is CC.NCC(O)c1ccc2c(n1)-c1c(sc3c(F)cccc13)CO2.
What is the InChIKey of 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane?
The InChIKey is UZRWVIGDSGUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S.C2H6/c17-9-3-1-2-8-14-13(22-16(8)9)7-21-12-5-4-10(11(20)6-18)19-15(12)14;1-2/h1-5,11,20H,6-7,18H2;1-2H3.
What are the key properties of 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane?
2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane has a molecular weight of 346.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(13-fluoro-8-oxa-11-thia-3-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-4-yl)ethanol;ethane is sourced from PubChem (CID 144795947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).