5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole

C9H9F2N3S — CID 166088645

IUPAC5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(-c2cnn(C(F)F)c2)s1
InChIInChI=1S/C9H9F2N3S/c1-2-8-12-4-7(15-8)6-3-13-14(5-6)9(10)11/h3-5,9H,2H2,1H3
InChIKeyVPVFSTOQPVCTQD-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.96
Rot. Bonds3

About 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole

5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole (PubChem CID 166088645) has the molecular formula C9H9F2N3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole
PubChem CID166088645
Molecular FormulaC9H9F2N3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(-c2cnn(C(F)F)c2)s1
InChIInChI=1S/C9H9F2N3S/c1-2-8-12-4-7(15-8)6-3-13-14(5-6)9(10)11/h3-5,9H,2H2,1H3
InChIKeyVPVFSTOQPVCTQD-UHFFFAOYSA-N
XLogP2.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole?
The IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole (CID 166088645) is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole is CCc1ncc(-c2cnn(C(F)F)c2)s1.
What is the InChIKey of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole?
The InChIKey is VPVFSTOQPVCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3S/c1-2-8-12-4-7(15-8)6-3-13-14(5-6)9(10)11/h3-5,9H,2H2,1H3.
What are the key properties of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole?
5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole has a molecular weight of 229.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 166088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).