4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine

C14H17FN2O2S — CID 144901222

IUPAC4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOC1C=C(F)C=CC1c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H17FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyAWDFXSXTLUPOIN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.50
Rot. Bonds3

About 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 144901222) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID144901222
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOC1C=C(F)C=CC1c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H17FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyAWDFXSXTLUPOIN-UHFFFAOYSA-N
XLogP2.50
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine (CID 144901222) is 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine is COC1C=C(F)C=CC1c1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is AWDFXSXTLUPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9,11,13H,4-7H2,1H3.
What are the key properties of 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 296.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 144901222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).