[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C15H14F2N2O3S — CID 75391940

IUPAC[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H14F2N2O3S/c16-15(17)22-11-3-1-2-10(6-11)13-7-19(4-5-21-13)14(20)12-8-23-9-18-12/h1-3,6,8-9,13,15H,4-5,7H2
InChIKeyALIGQDNXZUSYHY-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.96
Rot. Bonds4

About [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 75391940) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID75391940
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H14F2N2O3S/c16-15(17)22-11-3-1-2-10(6-11)13-7-19(4-5-21-13)14(20)12-8-23-9-18-12/h1-3,6,8-9,13,15H,4-5,7H2
InChIKeyALIGQDNXZUSYHY-UHFFFAOYSA-N
XLogP2.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
[(2R)-2-pyrazin-2-ylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125022410
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
4-(1,3-thiazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674305
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
N-methyl-6-[4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 110272012
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 75391940) is [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCOC(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ALIGQDNXZUSYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-15(17)22-11-3-1-2-10(6-11)13-7-19(4-5-21-13)14(20)12-8-23-9-18-12/h1-3,6,8-9,13,15H,4-5,7H2.
What are the key properties of [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 340.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 75391940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).