2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine

C13H13FN2OS — CID 82246653

IUPAC2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)CCOc1ccc(F)cc1-2
InChIInChI=1S/C13H13FN2OS/c14-8-1-2-10-9(7-8)13-11(4-6-17-10)18-12(16-13)3-5-15/h1-2,7H,3-6,15H2
InChIKeyFIKBVVIWWBXWFL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.39
Rot. Bonds2

About 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine

2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine (PubChem CID 82246653) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
PubChem CID82246653
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)CCOc1ccc(F)cc1-2
InChIInChI=1S/C13H13FN2OS/c14-8-1-2-10-9(7-8)13-11(4-6-17-10)18-12(16-13)3-5-15/h1-2,7H,3-6,15H2
InChIKeyFIKBVVIWWBXWFL-UHFFFAOYSA-N
XLogP2.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-phenyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82240169
2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82248373
2-(9-propan-2-yl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)acetonitrile
CID 82249737
2-ethoxy-1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 10159053
3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115466700
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)ethanamine
CID 79375047
N-[2-(diaminomethylideneamino)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-9-yl]acetamide
CID 10639189
2-N-(8-bromo-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)-2-methylpropane-1,2-diamine;hydrobromide
CID 86652327
2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
CID 82106517
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine (CID 82246653) is 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine is NCCc1nc2c(s1)CCOc1ccc(F)cc1-2.
What is the InChIKey of 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is FIKBVVIWWBXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-8-1-2-10-9(7-8)13-11(4-6-17-10)18-12(16-13)3-5-15/h1-2,7H,3-6,15H2.
What are the key properties of 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 264.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 82246653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).