2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine

C62H74F13N11S — CID 167608916

IUPAC2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1c(F)ccc2cnn(C)c12.CC(C)c1ccc(F)c2sc(N)nc12.CC(C)c1nc(N)ccc1C(F)(F)F.Cc1c(F)c(N)c(F)c(C(C)C)c1C(F)(F)F.Cc1cc(N)nc(C(C)C)c1C(F)(F)F.Cc1ccc2cn[nH]c2c1C(C)C
InChIInChI=1S/C11H12F5N.C11H13FN2.C11H14N2.C10H13F3N2.C10H11FN2S.C9H11F3N2/c1-4(2)6-7(11(14,15)16)5(3)8(12)10(17)9(6)13;1-7(2)10-9(12)5-4-8-6-13-14(3)11(8)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-5(2)9-8(10(11,12)13)6(3)4-7(14)15-9;1-5(2)6-3-4-7(11)9-8(6)13-10(12)14-9;1-5(2)8-6(9(10,11)12)3-4-7(13)14-8/h4H,17H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H2,14,15);3-5H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,13,14)
InChIKeyKTOAFNKCZCCLMD-UHFFFAOYSA-N
MW1252.39 g/mol
LogP18.89
Rot. Bonds6

About 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine

2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 167608916) has the molecular formula C62H74F13N11S and a molecular weight of 1252.39 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID167608916
Molecular FormulaC62H74F13N11S
Molecular Weight1252.39 g/mol
Exact Mass1251.56
IUPAC Name2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1c(F)ccc2cnn(C)c12.CC(C)c1ccc(F)c2sc(N)nc12.CC(C)c1nc(N)ccc1C(F)(F)F.Cc1c(F)c(N)c(F)c(C(C)C)c1C(F)(F)F.Cc1cc(N)nc(C(C)C)c1C(F)(F)F.Cc1ccc2cn[nH]c2c1C(C)C
InChIInChI=1S/C11H12F5N.C11H13FN2.C11H14N2.C10H13F3N2.C10H11FN2S.C9H11F3N2/c1-4(2)6-7(11(14,15)16)5(3)8(12)10(17)9(6)13;1-7(2)10-9(12)5-4-8-6-13-14(3)11(8)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-5(2)9-8(10(11,12)13)6(3)4-7(14)15-9;1-5(2)6-3-4-7(11)9-8(6)13-10(12)14-9;1-5(2)8-6(9(10,11)12)3-4-7(13)14-8/h4H,17H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H2,14,15);3-5H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,13,14)
InChIKeyKTOAFNKCZCCLMD-UHFFFAOYSA-N
XLogP18.89
TPSA189.25 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.39
LogP ≤ 518.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

5-[[4-[[6-amino-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-(1H-pyrazol-4-ylmethyl)indole-2-carbonitrile
CID 124120033
6-(5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine
CID 153521559
N-[6-[3-[6-[6-amino-2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazol-4-yl]-4-fluoro-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
CID 155371051
3-Methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine;1,2,3,4,5-pentafluoro-6-(3-phenylphenyl)benzene
CID 161993582
6-(7-ethenyl-6-fluoro-5-methyl-1H-indazol-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 167002542
6-[(2S,13R,14R)-10-fluoro-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3,5,8,10-tetraen-13-yl]-1,3-benzothiazol-2-amine
CID 169279531
4-[7-[(2-Amino-3-pyridinyl)methyl]-13-fluoro-10-(3-methyl-3-pyrrolidin-1-ylazetidin-1-yl)-3,4,7,9,11-pentazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),2,8,10,12,15-hexaen-14-yl]-7-fluoro-1,3-benzothiazol-2-amine
CID 176047007
7-(2-amino-1,3-benzothiazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carbonitrile
CID 163199707
6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine
CID 142445481
N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-5-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 158531463
N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 161027679
6-(5-methyl-1H-pyrazol-4-yl)-N-[4-[(3-phenylpyrrolidin-1-yl)methyl]-2-pyridinyl]-1,3-benzothiazol-2-amine
CID 88357296

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine (CID 167608916) is 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine is CC(C)c1c(F)ccc2cnn(C)c12.CC(C)c1ccc(F)c2sc(N)nc12.CC(C)c1nc(N)ccc1C(F)(F)F.Cc1c(F)c(N)c(F)c(C(C)C)c1C(F)(F)F.Cc1cc(N)nc(C(C)C)c1C(F)(F)F.Cc1ccc2cn[nH]c2c1C(C)C.
What is the InChIKey of 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KTOAFNKCZCCLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N.C11H13FN2.C11H14N2.C10H13F3N2.C10H11FN2S.C9H11F3N2/c1-4(2)6-7(11(14,15)16)5(3)8(12)10(17)9(6)13;1-7(2)10-9(12)5-4-8-6-13-14(3)11(8)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-5(2)9-8(10(11,12)13)6(3)4-7(14)15-9;1-5(2)6-3-4-7(11)9-8(6)13-10(12)14-9;1-5(2)8-6(9(10,11)12)3-4-7(13)14-8/h4H,17H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H2,14,15);3-5H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,13,14).
What are the key properties of 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine?
2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1252.39 g/mol, XLogP of 18.89, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-5-propan-2-yl-4-(trifluoromethyl)aniline;6-fluoro-1-methyl-7-propan-2-ylindazole;7-fluoro-4-propan-2-yl-1,3-benzothiazol-2-amine;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 167608916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).