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

C9H6F3N3OS — CID 106782516

IUPAC(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCn1ccc(C(=O)c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H6F3N3OS/c1-15-3-2-5(14-15)7(16)6-4-13-8(17-6)9(10,11)12/h2-4H,1H3
InChIKeyZPKPWCJZKNIELT-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.13
Rot. Bonds2

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

(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782516) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782516
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCn1ccc(C(=O)c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H6F3N3OS/c1-15-3-2-5(14-15)7(16)6-4-13-8(17-6)9(10,11)12/h2-4H,1H3
InChIKeyZPKPWCJZKNIELT-UHFFFAOYSA-N
XLogP2.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782516) is (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cn1ccc(C(=O)c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ZPKPWCJZKNIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c1-15-3-2-5(14-15)7(16)6-4-13-8(17-6)9(10,11)12/h2-4H,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 261.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).