cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole

C119H189N11O3S — CID 160908134

IUPACcumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CCN=C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1
InChIInChI=1S/C12H16.C11H15NO.C11H14O.C10H14N2O.2C9H12.2C8H11N.C8H12.C7H11N.2C6H10N2.C6H9NS.8CH4/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;;;;;;;;/h6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-8H,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;8*1H4
InChIKeySQKJMTMSIBKNBW-UHFFFAOYSA-N
MW1853.96 g/mol
LogP35.30
Rot. Bonds13

About cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole

cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole (PubChem CID 160908134) has the molecular formula C119H189N11O3S and a molecular weight of 1853.96 g/mol. Its IUPAC name is cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
PubChem CID160908134
Molecular FormulaC119H189N11O3S
Molecular Weight1853.96 g/mol
Exact Mass1852.47
IUPAC Namecumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CCN=C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1
InChIInChI=1S/C12H16.C11H15NO.C11H14O.C10H14N2O.2C9H12.2C8H11N.C8H12.C7H11N.2C6H10N2.C6H9NS.8CH4/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;;;;;;;;/h6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-8H,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;8*1H4
InChIKeySQKJMTMSIBKNBW-UHFFFAOYSA-N
XLogP35.30
TPSA173.03 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.96
LogP ≤ 535.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-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-[5-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]methyl]-2-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 164875479
cumene;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
CID 157410129
4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyridin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine
CID 159016252
cumene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
CID 159551460
4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyridin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine
CID 160313937
2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 160562502
cumene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
CID 161894300

Frequently Asked Questions

What is the IUPAC name of cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole (CID 160908134) is cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CCN=C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1.
What is the InChIKey of cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole?
The InChIKey is SQKJMTMSIBKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H15NO.C11H14O.C10H14N2O.2C9H12.2C8H11N.C8H12.C7H11N.2C6H10N2.C6H9NS.8CH4/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;;;;;;;;/h6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-8H,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;8*1H4.
What are the key properties of cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole?
cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1853.96 g/mol, XLogP of 35.30, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;1-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160908134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).