[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

C19H18ClF3N2O3S — CID 177184078

IUPAC[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCO[C@@H](c3nc(-c4c(OC(F)F)ccc(Cl)c4F)cs3)C2)CC1
InChIInChI=1S/C19H18ClF3N2O3S/c1-19(4-5-19)17(26)25-6-7-27-13(8-25)16-24-11(9-29-16)14-12(28-18(22)23)3-2-10(20)15(14)21/h2-3,9,13,18H,4-8H2,1H3/t13-/m1/s1
InChIKeyFXMAKEAOHBHFDX-CYBMUJFWSA-N
MW446.88 g/mol
LogP4.90
Rot. Bonds5

About [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (PubChem CID 177184078) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
PubChem CID177184078
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC Name[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCO[C@@H](c3nc(-c4c(OC(F)F)ccc(Cl)c4F)cs3)C2)CC1
InChIInChI=1S/C19H18ClF3N2O3S/c1-19(4-5-19)17(26)25-6-7-27-13(8-25)16-24-11(9-29-16)14-12(28-18(22)23)3-2-10(20)15(14)21/h2-3,9,13,18H,4-8H2,1H3/t13-/m1/s1
InChIKeyFXMAKEAOHBHFDX-CYBMUJFWSA-N
XLogP4.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184012
1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
CID 177183927
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
[(2R)-2-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-bicyclo[2.1.1]hexanyl)methanone
CID 177184033
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126799769
1-bicyclo[2.1.1]hexanyl-[2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholin-4-yl]methanone
CID 177184024
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (CID 177184078) is [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCO[C@@H](c3nc(-c4c(OC(F)F)ccc(Cl)c4F)cs3)C2)CC1.
What is the InChIKey of [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is FXMAKEAOHBHFDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c1-19(4-5-19)17(26)25-6-7-27-13(8-25)16-24-11(9-29-16)14-12(28-18(22)23)3-2-10(20)15(14)21/h2-3,9,13,18H,4-8H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 446.88 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 177184078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).