3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

C16H17F3N4OS — CID 126776405

IUPAC3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccncn1)N1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-25-15(22-13)11-2-1-7-23(8-11)14(24)4-3-12-5-6-20-10-21-12/h5-6,9-11H,1-4,7-8H2
InChIKeyGAQUZPDQUQRJGS-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.29
Rot. Bonds4

About 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 126776405) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID126776405
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccncn1)N1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-25-15(22-13)11-2-1-7-23(8-11)14(24)4-3-12-5-6-20-10-21-12/h5-6,9-11H,1-4,7-8H2
InChIKeyGAQUZPDQUQRJGS-UHFFFAOYSA-N
XLogP3.29
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (CID 126776405) is 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is O=C(CCc1ccncn1)N1CCCC(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GAQUZPDQUQRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-25-15(22-13)11-2-1-7-23(8-11)14(24)4-3-12-5-6-20-10-21-12/h5-6,9-11H,1-4,7-8H2.
What are the key properties of 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 370.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126776405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).