2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine

C14H16N2O2S — CID 82248373

IUPAC2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
SMILESCOc1cccc2c1OCCc1sc(CCN)nc1-2
InChIInChI=1S/C14H16N2O2S/c1-17-10-4-2-3-9-13-11(6-8-18-14(9)10)19-12(16-13)5-7-15/h2-4H,5-8,15H2,1H3
InChIKeyURPYAEAEVKKZGS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds3

About 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine

2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine (PubChem CID 82248373) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
PubChem CID82248373
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
SMILESCOc1cccc2c1OCCc1sc(CCN)nc1-2
InChIInChI=1S/C14H16N2O2S/c1-17-10-4-2-3-9-13-11(6-8-18-14(9)10)19-12(16-13)5-7-15/h2-4H,5-8,15H2,1H3
InChIKeyURPYAEAEVKKZGS-UHFFFAOYSA-N
XLogP2.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine with MolForge

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Related Compounds

2-(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82246653
2-(9-phenyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine
CID 82240169
7-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
CID 82242929
ethyl 7-methoxy-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxylate
CID 82250216
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)ethanamine
CID 79375047
9-oxa-5-thia-3-azatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),3,11,13,15,17-heptaen-4-amine
CID 82247206
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
7-methoxy-2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole-3-carboxylic acid
CID 82247907
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
2-propyl-4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazole
CID 139763464
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115466700

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine (CID 82248373) is 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine is COc1cccc2c1OCCc1sc(CCN)nc1-2.
What is the InChIKey of 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is URPYAEAEVKKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-10-4-2-3-9-13-11(6-8-18-14(9)10)19-12(16-13)5-7-15/h2-4H,5-8,15H2,1H3.
What are the key properties of 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine?
2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 276.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 82248373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).