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

C13H19N3S — CID 129066020

IUPAC4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cc(CC(C)c2cscn2)n(C)n1
InChIInChI=1S/C13H19N3S/c1-9(2)12-6-11(16(4)15-12)5-10(3)13-7-17-8-14-13/h6-10H,5H2,1-4H3
InChIKeyYRUYLFKPLYCFCD-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.35
Rot. Bonds4

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

4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole (PubChem CID 129066020) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole
PubChem CID129066020
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole
SMILESCC(C)c1cc(CC(C)c2cscn2)n(C)n1
InChIInChI=1S/C13H19N3S/c1-9(2)12-6-11(16(4)15-12)5-10(3)13-7-17-8-14-13/h6-10H,5H2,1-4H3
InChIKeyYRUYLFKPLYCFCD-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole (CID 129066020) is 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole is CC(C)c1cc(CC(C)c2cscn2)n(C)n1.
What is the InChIKey of 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole?
The InChIKey is YRUYLFKPLYCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)12-6-11(16(4)15-12)5-10(3)13-7-17-8-14-13/h6-10H,5H2,1-4H3.
What are the key properties of 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole?
4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole has a molecular weight of 249.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 129066020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).