4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide

C18H20F3N3O3S2 — CID 144825472

IUPAC4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3cnc(N4CCO[C@@H](C(F)(F)F)C4)s3)cc2)CC1
InChIInChI=1S/C18H20F3N3O3S2/c19-18(20,21)16-12-24(5-8-27-16)17-22-11-15(28-17)13-1-3-14(4-2-13)23-6-9-29(25,26)10-7-23/h1-4,11,16H,5-10,12H2/t16-/m1/s1
InChIKeyRRGFXHHFZPIFKB-MRXNPFEDSA-N
MW447.50 g/mol
LogP2.81
Rot. Bonds3

About 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide

4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 144825472) has the molecular formula C18H20F3N3O3S2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID144825472
Molecular FormulaC18H20F3N3O3S2
Molecular Weight447.50 g/mol
Exact Mass447.09
IUPAC Name4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3cnc(N4CCO[C@@H](C(F)(F)F)C4)s3)cc2)CC1
InChIInChI=1S/C18H20F3N3O3S2/c19-18(20,21)16-12-24(5-8-27-16)17-22-11-15(28-17)13-1-3-14(4-2-13)23-6-9-29(25,26)10-7-23/h1-4,11,16H,5-10,12H2/t16-/m1/s1
InChIKeyRRGFXHHFZPIFKB-MRXNPFEDSA-N
XLogP2.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyanocyclopropyl)-2-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 123662272
4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 144825399
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[5-[4-(1,1-dihydroxy-1,4-thiazinan-4-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-4-yl]cyclohexane-1-carboxamide
CID 118009119
4-[4-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839651
2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122051970
(3S,4S)-1-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 136582885
2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 166839592
4-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-2-yl]-3-methylbenzonitrile
CID 144828100
(2R)-4-(5-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 95444910
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide (CID 144825472) is 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2ccc(-c3cnc(N4CCO[C@@H](C(F)(F)F)C4)s3)cc2)CC1.
What is the InChIKey of 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is RRGFXHHFZPIFKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20F3N3O3S2/c19-18(20,21)16-12-24(5-8-27-16)17-22-11-15(28-17)13-1-3-14(4-2-13)23-6-9-29(25,26)10-7-23/h1-4,11,16H,5-10,12H2/t16-/m1/s1.
What are the key properties of 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 447.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 144825472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).