(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H8F3N3OS — CID 106785003

IUPAC(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(C)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-3-6(16(2)15-5)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3
InChIKeyXWWRPTQSBWFSKA-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.43
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106785003) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106785003
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(C)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-3-6(16(2)15-5)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3
InChIKeyXWWRPTQSBWFSKA-UHFFFAOYSA-N
XLogP2.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106785003) is (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XWWRPTQSBWFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-3-6(16(2)15-5)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 275.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106785003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).