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

C16H24FN3S2 — CID 130317283

IUPAC5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCc1c(F)c(SCC(C)c2cnc(C(C)C)s2)nn1C(C)C
InChIInChI=1S/C16H24FN3S2/c1-9(2)15-18-7-13(22-15)11(5)8-21-16-14(17)12(6)20(19-16)10(3)4/h7,9-11H,8H2,1-6H3
InChIKeyLWARZQASTCKURW-UHFFFAOYSA-N
MW341.52 g/mol
LogP5.39
Rot. Bonds6

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

5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 130317283) has the molecular formula C16H24FN3S2 and a molecular weight of 341.52 g/mol. Its IUPAC name is 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID130317283
Molecular FormulaC16H24FN3S2
Molecular Weight341.52 g/mol
Exact Mass341.14
IUPAC Name5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCc1c(F)c(SCC(C)c2cnc(C(C)C)s2)nn1C(C)C
InChIInChI=1S/C16H24FN3S2/c1-9(2)15-18-7-13(22-15)11(5)8-21-16-14(17)12(6)20(19-16)10(3)4/h7,9-11H,8H2,1-6H3
InChIKeyLWARZQASTCKURW-UHFFFAOYSA-N
XLogP5.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole (CID 130317283) is 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole is Cc1c(F)c(SCC(C)c2cnc(C(C)C)s2)nn1C(C)C.
What is the InChIKey of 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is LWARZQASTCKURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3S2/c1-9(2)15-18-7-13(22-15)11(5)8-21-16-14(17)12(6)20(19-16)10(3)4/h7,9-11H,8H2,1-6H3.
What are the key properties of 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole?
5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 341.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluoro-5-methyl-1-propan-2-ylpyrazol-3-yl)sulfanylpropan-2-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 130317283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).