4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

C14H14F2N2O2S — CID 118310050

IUPAC4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3
InChIKeyUZZZYERDPQSGCX-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.93
Rot. Bonds3

About 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 118310050) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID118310050
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3
InChIKeyUZZZYERDPQSGCX-UHFFFAOYSA-N
XLogP2.93
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
2-Fluoro-6-(2-morpholinothiazol-4-yl)phenol
CID 118310053
4-[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 118310056
OC1=CC(F)=CC=C1C1=Csc(N2ccocc2)=N1
CID 118310059
2,3-Difluoro-6-(2-morpholinothiazol-4-yl)phenol
CID 118314647
1-Benzyl-4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazine
CID 653037
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223658
1-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
3-Fluoro-4-methoxy-5-(2-morpholinothiazol-4-yl)phenol
CID 118310052

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine (CID 118310050) is 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine is COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.
What is the InChIKey of 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is UZZZYERDPQSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 312.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 118310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).