2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole

C35H51NO2S — CID 167539210

IUPAC2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1cscn1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)c1CO
InChIInChI=1S/C11H16O.C11H16.C7H10O.C6H9NS/c1-8(2)10-6-4-5-9(3)11(10)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyAYIOQLNUXPFQAP-UHFFFAOYSA-N
MW549.87 g/mol
LogP10.71
Rot. Bonds5

About 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole

2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole (PubChem CID 167539210) has the molecular formula C35H51NO2S and a molecular weight of 549.87 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
PubChem CID167539210
Molecular FormulaC35H51NO2S
Molecular Weight549.87 g/mol
Exact Mass549.36
IUPAC Name2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1cscn1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)c1CO
InChIInChI=1S/C11H16O.C11H16.C7H10O.C6H9NS/c1-8(2)10-6-4-5-9(3)11(10)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyAYIOQLNUXPFQAP-UHFFFAOYSA-N
XLogP10.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 510.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
CID 157413823
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571514
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
2,4-dimethyl-1-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158801354
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813
[(2,3-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254306
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
2-(furan-2-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 83175983
1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;ethane;methane
CID 160607866

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole (CID 167539210) is 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole is CC(C)c1ccco1.CC(C)c1cscn1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)c1CO.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The InChIKey is AYIOQLNUXPFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C11H16.C7H10O.C6H9NS/c1-8(2)10-6-4-5-9(3)11(10)7-12;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole has a molecular weight of 549.87 g/mol, XLogP of 10.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 167539210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).