4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole

C9H10FN3S — CID 58621249

IUPAC4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-n2cc(C)c(CF)n2)cs1
InChIInChI=1S/C9H10FN3S/c1-6-4-13(12-8(6)3-10)9-5-14-7(2)11-9/h4-5H,3H2,1-2H3
InChIKeyRYGHCTAUXOEIJQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.42
Rot. Bonds2

About 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole

4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole (PubChem CID 58621249) has the molecular formula C9H10FN3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole
PubChem CID58621249
Molecular FormulaC9H10FN3S
Molecular Weight211.26 g/mol
Exact Mass211.06
IUPAC Name4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-n2cc(C)c(CF)n2)cs1
InChIInChI=1S/C9H10FN3S/c1-6-4-13(12-8(6)3-10)9-5-14-7(2)11-9/h4-5H,3H2,1-2H3
InChIKeyRYGHCTAUXOEIJQ-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole (CID 58621249) is 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole is Cc1nc(-n2cc(C)c(CF)n2)cs1.
What is the InChIKey of 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole?
The InChIKey is RYGHCTAUXOEIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-6-4-13(12-8(6)3-10)9-5-14-7(2)11-9/h4-5H,3H2,1-2H3.
What are the key properties of 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole?
4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole has a molecular weight of 211.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58621249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).