6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one

C16H14F3N3O3S — CID 5093465

IUPAC6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCN1C(=O)NC(c2cccnc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F
InChIInChI=1S/C16H14F3N3O3S/c1-22-14(24)21-12(9-4-2-6-20-8-9)11(15(22,25)16(17,18)19)13(23)10-5-3-7-26-10/h2-8,11-12,25H,1H3,(H,21,24)
InChIKeyFOMXGRXQNHKVHM-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.59
Rot. Bonds3

About 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one

6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 5093465) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID5093465
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCN1C(=O)NC(c2cccnc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F
InChIInChI=1S/C16H14F3N3O3S/c1-22-14(24)21-12(9-4-2-6-20-8-9)11(15(22,25)16(17,18)19)13(23)10-5-3-7-26-10/h2-8,11-12,25H,1H3,(H,21,24)
InChIKeyFOMXGRXQNHKVHM-UHFFFAOYSA-N
XLogP2.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one (CID 5093465) is 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is CN1C(=O)NC(c2cccnc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F.
What is the InChIKey of 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is FOMXGRXQNHKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-22-14(24)21-12(9-4-2-6-20-8-9)11(15(22,25)16(17,18)19)13(23)10-5-3-7-26-10/h2-8,11-12,25H,1H3,(H,21,24).
What are the key properties of 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 385.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-4-pyridin-3-yl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 5093465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).