[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C9H10F2N2O2S — CID 124626988

IUPAC[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCO[C@H](C(F)F)C1
InChIInChI=1S/C9H10F2N2O2S/c10-8(11)7-3-13(1-2-15-7)9(14)6-4-16-5-12-6/h4-5,7-8H,1-3H2/t7-/m0/s1
InChIKeyXHAIEVCBZOWHGU-ZETCQYMHSA-N
MW248.25 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 124626988) has the molecular formula C9H10F2N2O2S and a molecular weight of 248.25 g/mol. Its IUPAC name is [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID124626988
Molecular FormulaC9H10F2N2O2S
Molecular Weight248.25 g/mol
Exact Mass248.04
IUPAC Name[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCO[C@H](C(F)F)C1
InChIInChI=1S/C9H10F2N2O2S/c10-8(11)7-3-13(1-2-15-7)9(14)6-4-16-5-12-6/h4-5,7-8H,1-3H2/t7-/m0/s1
InChIKeyXHAIEVCBZOWHGU-ZETCQYMHSA-N
XLogP1.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 94993786
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 97051833
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234
Ethyl 4-(4-fluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121303323
Ethyl 4-(4,4-difluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121304037
(4,4-Difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 174899868
Methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 55142670
1-(1,3-Thiazole-4-carbonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55143815

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 124626988) is [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCO[C@H](C(F)F)C1.
What is the InChIKey of [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XHAIEVCBZOWHGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10F2N2O2S/c10-8(11)7-3-13(1-2-15-7)9(14)6-4-16-5-12-6/h4-5,7-8H,1-3H2/t7-/m0/s1.
What are the key properties of [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 248.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124626988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).