2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole

C10H12FN3S — CID 71055506

IUPAC2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
SMILESCc1nn(C(C)C)c(-c2nccs2)c1F
InChIInChI=1S/C10H12FN3S/c1-6(2)14-9(8(11)7(3)13-14)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeyNVFJBRGXSKMSQX-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole

2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole (PubChem CID 71055506) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
PubChem CID71055506
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
SMILESCc1nn(C(C)C)c(-c2nccs2)c1F
InChIInChI=1S/C10H12FN3S/c1-6(2)14-9(8(11)7(3)13-14)10-12-4-5-15-10/h4-6H,1-3H3
InChIKeyNVFJBRGXSKMSQX-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole (CID 71055506) is 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole is Cc1nn(C(C)C)c(-c2nccs2)c1F.
What is the InChIKey of 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole?
The InChIKey is NVFJBRGXSKMSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c1-6(2)14-9(8(11)7(3)13-14)10-12-4-5-15-10/h4-6H,1-3H3.
What are the key properties of 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole?
2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole has a molecular weight of 225.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 71055506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).