[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

C13H11F3N4O2S — CID 124571883

IUPAC[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)12-18-5-8(6-19-12)11(21)20-2-3-22-9(7-20)10-17-1-4-23-10/h1,4-6,9H,2-3,7H2/t9-/m0/s1
InChIKeyUPXNSDZRYGVYOZ-VIFPVBQESA-N
MW344.32 g/mol
LogP2.17
Rot. Bonds2

About [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 124571883) has the molecular formula C13H11F3N4O2S and a molecular weight of 344.32 g/mol. Its IUPAC name is [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID124571883
Molecular FormulaC13H11F3N4O2S
Molecular Weight344.32 g/mol
Exact Mass344.06
IUPAC Name[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)12-18-5-8(6-19-12)11(21)20-2-3-22-9(7-20)10-17-1-4-23-10/h1,4-6,9H,2-3,7H2/t9-/m0/s1
InChIKeyUPXNSDZRYGVYOZ-VIFPVBQESA-N
XLogP2.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-5-pyrimidinecarboxamide
CID 72854014
Pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739956
2-ethyl-N-{[2-(4-morpholinyl)-1,3-thiazol-4-yl]methyl}-5-pyrimidinecarboxamide
CID 72841535
[2-(1,3-Thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121533101
[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121550007
[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 124571884
[4-(5-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 139006330
[4-(2-Hydroxypropyl)piperazin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 72142504
2-morpholin-4-yl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrimidine-5-carboxamide
CID 74238507
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 74241900
Pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95828499
[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 96016497

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 124571883) is [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1cnc(C(F)(F)F)nc1)N1CCO[C@H](c2nccs2)C1.
What is the InChIKey of [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is UPXNSDZRYGVYOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H11F3N4O2S/c14-13(15,16)12-18-5-8(6-19-12)11(21)20-2-3-22-9(7-20)10-17-1-4-23-10/h1,4-6,9H,2-3,7H2/t9-/m0/s1.
What are the key properties of [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 344.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 124571883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).