2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole

C56H80BrF12N9OS2 — CID 157370733

IUPAC2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
SMILESCC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1
InChIInChI=1S/C9H12F3N.C9H14O.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3
InChIKeyBJSQIKVQNMTCGW-UHFFFAOYSA-N
MW1267.33 g/mol
LogP20.31
Rot. Bonds11

About 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole

2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole (PubChem CID 157370733) has the molecular formula C56H80BrF12N9OS2 and a molecular weight of 1267.33 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
PubChem CID157370733
Molecular FormulaC56H80BrF12N9OS2
Molecular Weight1267.33 g/mol
Exact Mass1265.49
IUPAC Name2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
SMILESCC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1
InChIInChI=1S/C9H12F3N.C9H14O.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3
InChIKeyBJSQIKVQNMTCGW-UHFFFAOYSA-N
XLogP20.31
TPSA97.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.33
LogP ≤ 520.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole 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

1-(2,2-Difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157177074
2-Bromo-3-propan-2-ylthiophene;5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
CID 158504055
2-Chloro-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran
CID 157519553
5-Chloro-3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrazole;3-(difluoromethyl)-1,4-dimethylpyrrole;4-(difluoromethyl)-2,5-dimethyl-1,3-thiazole;3-(difluoromethyl)-5-fluoro-1,4-dimethylpyrazole;5-fluoro-1,3,4-trimethylpyrazole;2-iodo-3-methylthiophene;2,3,5-trimethylfuran
CID 157696546
1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158152705
5-Chloro-3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-5-fluoro-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrazole;3-(difluoromethyl)-1-methylpyrrole;4-(difluoromethyl)-2-methyl-1,3-thiazole;2,5-dimethylfuran;5-fluoro-1,3-dimethylpyrazole;2-iodothiophene
CID 160664335
2,5-Dimethyl-1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-thiazole;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 161574561

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The IUPAC name of 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole (CID 157370733) is 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole.
What is the SMILES notation for 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The canonical SMILES for 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole is CC(C)c1c(C(F)F)nn(C)c1F.CC(C)c1ccsc1Br.CC(C)c1cn(C)cc1C(F)(F)F.CC(C)c1cn(C)nc1C(F)F.CC(C)c1nn(C)nc1C(F)F.Cc1cc(C(C)C)c(C)o1.Cc1nc(C(F)F)c(C(C)C)s1.
What is the InChIKey of 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
The InChIKey is BJSQIKVQNMTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N.C9H14O.C8H11F3N2.C8H12F2N2.C8H11F2NS.C7H9BrS.C7H11F2N3/c1-6(2)7-4-13(3)5-8(7)9(10,11)12;1-6(2)9-5-7(3)10-8(9)4;1-4(2)5-6(7(9)10)12-13(3)8(5)11;1-5(2)6-4-12(3)11-7(6)8(9)10;1-4(2)7-6(8(9)10)11-5(3)12-7;1-5(2)6-3-4-9-7(6)8;1-4(2)5-6(7(8)9)11-12(3)10-5/h4-6H,1-3H3;5-6H,1-4H3;4,7H,1-3H3;4-5,8H,1-3H3;4,8H,1-3H3;3-5H,1-2H3;4,7H,1-3H3.
What are the key properties of 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole?
2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole has a molecular weight of 1267.33 g/mol, XLogP of 20.31, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylthiophene;3-(difluoromethyl)-5-fluoro-1-methyl-4-propan-2-ylpyrazole;3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole;4-(difluoromethyl)-2-methyl-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-methyl-5-propan-2-yltriazole;2,5-dimethyl-3-propan-2-ylfuran;1-methyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole is sourced from PubChem (CID 157370733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).