4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine

C17H13ClF2N4O2S — CID 167513296

IUPAC4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
SMILESFc1ccc(-c2csc(N3CCOCC3)n2)c(Oc2ccc(Cl)nn2)c1F
InChIInChI=1S/C17H13ClF2N4O2S/c18-13-3-4-14(23-22-13)26-16-10(1-2-11(19)15(16)20)12-9-27-17(21-12)24-5-7-25-8-6-24/h1-4,9H,5-8H2
InChIKeyBOOKSQOVYBDTIQ-UHFFFAOYSA-N
MW410.83 g/mol
LogP4.16
Rot. Bonds4

About 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine

4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 167513296) has the molecular formula C17H13ClF2N4O2S and a molecular weight of 410.83 g/mol. Its IUPAC name is 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
PubChem CID167513296
Molecular FormulaC17H13ClF2N4O2S
Molecular Weight410.83 g/mol
Exact Mass410.04
IUPAC Name4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
SMILESFc1ccc(-c2csc(N3CCOCC3)n2)c(Oc2ccc(Cl)nn2)c1F
InChIInChI=1S/C17H13ClF2N4O2S/c18-13-3-4-14(23-22-13)26-16-10(1-2-11(19)15(16)20)12-9-27-17(21-12)24-5-7-25-8-6-24/h1-4,9H,5-8H2
InChIKeyBOOKSQOVYBDTIQ-UHFFFAOYSA-N
XLogP4.16
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
CID 167513301
2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 155011874
2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 166755042
tert-butyl N-[8-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]octyl]carbamate
CID 171565050
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
4-[[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]cyclobutyl]amino]-4-oxobutanoic acid
CID 167512997
N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
CID 172547175
6-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]hexyl N-tert-butylcarbamate
CID 175187545
4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine
CID 91322921
2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 162360505
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
tert-butyl 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetate
CID 162360599

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine (CID 167513296) is 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine is Fc1ccc(-c2csc(N3CCOCC3)n2)c(Oc2ccc(Cl)nn2)c1F.
What is the InChIKey of 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is BOOKSQOVYBDTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2S/c18-13-3-4-14(23-22-13)26-16-10(1-2-11(19)15(16)20)12-9-27-17(21-12)24-5-7-25-8-6-24/h1-4,9H,5-8H2.
What are the key properties of 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine?
4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 410.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 167513296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).