4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole

C20H30N4S — CID 165104210

IUPAC4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1cn[nH]c1.CC(C)c1cscn1
InChIInChI=1S/C8H11N.C6H10N2.C6H9NS/c1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-8-4-7-6/h3-7H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyYWAHEHKVYPEQDZ-UHFFFAOYSA-N
MW358.56 g/mol
LogP6.00
Rot. Bonds3

About 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole

4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole (PubChem CID 165104210) has the molecular formula C20H30N4S and a molecular weight of 358.56 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole
PubChem CID165104210
Molecular FormulaC20H30N4S
Molecular Weight358.56 g/mol
Exact Mass358.22
IUPAC Name4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1cn[nH]c1.CC(C)c1cscn1
InChIInChI=1S/C8H11N.C6H10N2.C6H9NS/c1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-8-4-7-6/h3-7H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyYWAHEHKVYPEQDZ-UHFFFAOYSA-N
XLogP6.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole (CID 165104210) is 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole is CC(C)c1ccccn1.CC(C)c1cn[nH]c1.CC(C)c1cscn1.
What is the InChIKey of 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole?
The InChIKey is YWAHEHKVYPEQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H10N2.C6H9NS/c1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-8-4-7-6/h3-7H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole?
4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole has a molecular weight of 358.56 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 165104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).