2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole

C119H205FN14OS2 — CID 157131450

IUPAC2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
SMILESC.C.C.C.C.C.C.C=C1C=CC(CC(C)C)=CN1C.CC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)CC1=NCC=C1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C12H16O.C11H17N.C10H14FN.C9H14.2C8H14N2.C8H13NS.4C8H13N.C7H12N2.C7H11NS.7CH4/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)7-11-6-5-10(3)12(4)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;;;;;;;/h4-6,8-9H,7H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6-7H,5,12H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3;7*1H4
InChIKeyAJCXTLNADJBUDL-UHFFFAOYSA-N
MW1931.18 g/mol
LogP34.36
Rot. Bonds27

About 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole

2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole (PubChem CID 157131450) has the molecular formula C119H205FN14OS2 and a molecular weight of 1931.18 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
PubChem CID157131450
Molecular FormulaC119H205FN14OS2
Molecular Weight1931.18 g/mol
Exact Mass1929.58
IUPAC Name2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
SMILESC.C.C.C.C.C.C.C=C1C=CC(CC(C)C)=CN1C.CC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)CC1=NCC=C1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C12H16O.C11H17N.C10H14FN.C9H14.2C8H14N2.C8H13NS.4C8H13N.C7H12N2.C7H11NS.7CH4/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)7-11-6-5-10(3)12(4)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;;;;;;;/h4-6,8-9H,7H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6-7H,5,12H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3;7*1H4
InChIKeyAJCXTLNADJBUDL-UHFFFAOYSA-N
XLogP34.36
TPSA185.87 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.18
LogP ≤ 534.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole (CID 157131450) is 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole is C.C.C.C.C.C.C.C=C1C=CC(CC(C)C)=CN1C.CC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)CC1=NCC=C1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.Cc1nc(CC(C)C)cs1.
What is the InChIKey of 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is AJCXTLNADJBUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C11H17N.C10H14FN.C9H14.2C8H14N2.C8H13NS.4C8H13N.C7H12N2.C7H11NS.7CH4/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)7-11-6-5-10(3)12(4)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;;;;;;;/h4-6,8-9H,7H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6-7H,5,12H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3;7*1H4.
What are the key properties of 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 1931.18 g/mol, XLogP of 34.36, 27 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylpropyl)aniline;methane;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-[3-(2-methylpropyl)phenyl]ethanone;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-2H-pyrrole;5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 157131450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).