2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole

C13H19N3S — CID 134197395

IUPAC2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole
SMILESCC(CCC(C)c1nccs1)c1ccn(C)n1
InChIInChI=1S/C13H19N3S/c1-10(12-6-8-16(3)15-12)4-5-11(2)13-14-7-9-17-13/h6-11H,4-5H2,1-3H3
InChIKeyANAHTRHKIJODSD-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.56
Rot. Bonds5

About 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole

2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole (PubChem CID 134197395) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole
PubChem CID134197395
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole
SMILESCC(CCC(C)c1nccs1)c1ccn(C)n1
InChIInChI=1S/C13H19N3S/c1-10(12-6-8-16(3)15-12)4-5-11(2)13-14-7-9-17-13/h6-11H,4-5H2,1-3H3
InChIKeyANAHTRHKIJODSD-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole (CID 134197395) is 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole is CC(CCC(C)c1nccs1)c1ccn(C)n1.
What is the InChIKey of 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole?
The InChIKey is ANAHTRHKIJODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(12-6-8-16(3)15-12)4-5-11(2)13-14-7-9-17-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole?
2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole has a molecular weight of 249.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-3-yl)hexan-2-yl]-1,3-thiazole is sourced from PubChem (CID 134197395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).