1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole

C81H132N10S — CID 162065002

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C12H18.2C11H17N.C10H16N2.C10H17N.2C9H16N2.C9H15NS/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4/h5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyZAIOVNKSHGBQJM-UHFFFAOYSA-N
MW1278.08 g/mol
LogP24.56
Rot. Bonds16

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole (PubChem CID 162065002) has the molecular formula C81H132N10S and a molecular weight of 1278.08 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
PubChem CID162065002
Molecular FormulaC81H132N10S
Molecular Weight1278.08 g/mol
Exact Mass1277.04
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C12H18.2C11H17N.C10H16N2.C10H17N.2C9H16N2.C9H15NS/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4/h5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyZAIOVNKSHGBQJM-UHFFFAOYSA-N
XLogP24.56
TPSA112.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.08
LogP ≤ 524.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole (CID 162065002) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole is CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
The InChIKey is ZAIOVNKSHGBQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2C11H17N.C10H16N2.C10H17N.2C9H16N2.C9H15NS/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4/h5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1278.08 g/mol, XLogP of 24.56, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 162065002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).