2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole

C14H21N3S — CID 82880303

IUPAC2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2nccs2)n1
InChIInChI=1S/C14H21N3S/c1-13(2,3)10-9-11(14(4,5)6)17(16-10)12-15-7-8-18-12/h7-9H,1-6H3
InChIKeyHHORVPIIAQSPBX-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.92
Rot. Bonds1

About 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole

2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole (PubChem CID 82880303) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
PubChem CID82880303
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2nccs2)n1
InChIInChI=1S/C14H21N3S/c1-13(2,3)10-9-11(14(4,5)6)17(16-10)12-15-7-8-18-12/h7-9H,1-6H3
InChIKeyHHORVPIIAQSPBX-UHFFFAOYSA-N
XLogP3.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole (CID 82880303) is 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole is CC(C)(C)c1cc(C(C)(C)C)n(-c2nccs2)n1.
What is the InChIKey of 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is HHORVPIIAQSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-13(2,3)10-9-11(14(4,5)6)17(16-10)12-15-7-8-18-12/h7-9H,1-6H3.
What are the key properties of 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole?
2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 263.41 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 82880303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).