[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

C19H20F2N2O3S — CID 177184012

IUPAC[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCOc1cc(F)cc(F)c1-c1csc([C@H]2CN(C(=O)C3(C)CC3)CCO2)n1
InChIInChI=1S/C19H20F2N2O3S/c1-19(3-4-19)18(24)23-5-6-26-15(9-23)17-22-13(10-27-17)16-12(21)7-11(20)8-14(16)25-2/h7-8,10,15H,3-6,9H2,1-2H3/t15-/m1/s1
InChIKeyJGIYKYRPLPNOPX-OAHLLOKOSA-N
MW394.44 g/mol
LogP3.80
Rot. Bonds4

About [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (PubChem CID 177184012) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
PubChem CID177184012
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCOc1cc(F)cc(F)c1-c1csc([C@H]2CN(C(=O)C3(C)CC3)CCO2)n1
InChIInChI=1S/C19H20F2N2O3S/c1-19(3-4-19)18(24)23-5-6-26-15(9-23)17-22-13(10-27-17)16-12(21)7-11(20)8-14(16)25-2/h7-8,10,15H,3-6,9H2,1-2H3/t15-/m1/s1
InChIKeyJGIYKYRPLPNOPX-OAHLLOKOSA-N
XLogP3.80
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184078
1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one
CID 139015316
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
CID 177183927
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
[(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
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (CID 177184012) is [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is COc1cc(F)cc(F)c1-c1csc([C@H]2CN(C(=O)C3(C)CC3)CCO2)n1.
What is the InChIKey of [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is JGIYKYRPLPNOPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-19(3-4-19)18(24)23-5-6-26-15(9-23)17-22-13(10-27-17)16-12(21)7-11(20)8-14(16)25-2/h7-8,10,15H,3-6,9H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 394.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 177184012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).