[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C13H13F3N4O2S — CID 1487646

IUPAC[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCOCC3)cs2)n1
InChIInChI=1S/C13H13F3N4O2S/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyQXTXTDLZFPVDGT-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.13
Rot. Bonds2

About [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1487646) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1487646
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCOCC3)cs2)n1
InChIInChI=1S/C13H13F3N4O2S/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyQXTXTDLZFPVDGT-UHFFFAOYSA-N
XLogP2.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 1487646) is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCOCC3)cs2)n1.
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QXTXTDLZFPVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-8-6-10(13(14,15)16)20(18-8)12-17-9(7-23-12)11(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3.
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 346.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1487646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).