4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole

C11H10F5N3S — CID 167873991

IUPAC4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESCn1cc(-c2csc(CCC(F)(F)F)n2)c(C(F)F)n1
InChIInChI=1S/C11H10F5N3S/c1-19-4-6(9(18-19)10(12)13)7-5-20-8(17-7)2-3-11(14,15)16/h4-5,10H,2-3H2,1H3
InChIKeyLZLIFWYLKAAKQD-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.98
Rot. Bonds4

About 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole

4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole (PubChem CID 167873991) has the molecular formula C11H10F5N3S and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
PubChem CID167873991
Molecular FormulaC11H10F5N3S
Molecular Weight311.28 g/mol
Exact Mass311.05
IUPAC Name4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESCn1cc(-c2csc(CCC(F)(F)F)n2)c(C(F)F)n1
InChIInChI=1S/C11H10F5N3S/c1-19-4-6(9(18-19)10(12)13)7-5-20-8(17-7)2-3-11(14,15)16/h4-5,10H,2-3H2,1H3
InChIKeyLZLIFWYLKAAKQD-UHFFFAOYSA-N
XLogP3.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The IUPAC name of 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole (CID 167873991) is 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The canonical SMILES for 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole is Cn1cc(-c2csc(CCC(F)(F)F)n2)c(C(F)F)n1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The InChIKey is LZLIFWYLKAAKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N3S/c1-19-4-6(9(18-19)10(12)13)7-5-20-8(17-7)2-3-11(14,15)16/h4-5,10H,2-3H2,1H3.
What are the key properties of 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole has a molecular weight of 311.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole is sourced from PubChem (CID 167873991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).