2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine

C121H114N8O3S5 — CID 163935757

IUPAC2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc2oc3ccc(-c4nc5ccccc5s4)cc3c2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.c1ccc(N(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H19NOS.C23H21NS.C19H14N2S.C17H17NO.C17H17NS.C11H13NO.C11H13NS/c1-23(2,3)15-9-11-20-17(13-15)16-12-14(8-10-19(16)25-20)22-24-18-6-4-5-7-21(18)26-22;1-23(2,3)19-14-12-17(13-15-19)16-8-10-18(11-9-16)22-24-20-6-4-5-7-21(20)25-22;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-13H,1-3H3;4-15H,1-3H3;1-14H;2*4-11H,1-3H3;2*4-7H,1-3H3
InChIKeyRMRAACGDWYHRAO-UHFFFAOYSA-N
MW1888.63 g/mol
LogP36.63
Rot. Bonds8

About 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine (PubChem CID 163935757) has the molecular formula C121H114N8O3S5 and a molecular weight of 1888.63 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine
PubChem CID163935757
Molecular FormulaC121H114N8O3S5
Molecular Weight1888.63 g/mol
Exact Mass1886.76
IUPAC Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc2oc3ccc(-c4nc5ccccc5s4)cc3c2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.c1ccc(N(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H19NOS.C23H21NS.C19H14N2S.C17H17NO.C17H17NS.C11H13NO.C11H13NS/c1-23(2,3)15-9-11-20-17(13-15)16-12-14(8-10-19(16)25-20)22-24-18-6-4-5-7-21(18)26-22;1-23(2,3)19-14-12-17(13-15-19)16-8-10-18(11-9-16)22-24-20-6-4-5-7-21(20)25-22;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-13H,1-3H3;4-15H,1-3H3;1-14H;2*4-11H,1-3H3;2*4-7H,1-3H3
InChIKeyRMRAACGDWYHRAO-UHFFFAOYSA-N
XLogP36.63
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.63
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
2-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 167017597
3-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-N,6-N,6-N,8-tetraphenyldibenzothiophene-3,6-diamine;2-N,2-N,6-N,6-N-tetrakis[4-(1,3-benzoxazol-2-yl)phenyl]-8-dibenzofuran-1-yldibenzothiophene-2,6-diamine
CID 165091402
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenyl-N-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]aniline
CID 176651596
5-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]furan-2-amine
CID 166648456
N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 175613470
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 160948340
4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]aniline
CID 176651706
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
2-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]-phenanthren-2-ylphosphoryl]phenyl]-1,3-benzoxazole
CID 118672933

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine (CID 163935757) is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine is CC(C)(C)c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc2oc3ccc(-c4nc5ccccc5s4)cc3c2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.c1ccc(N(c2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine?
The InChIKey is RMRAACGDWYHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS.C23H21NS.C19H14N2S.C17H17NO.C17H17NS.C11H13NO.C11H13NS/c1-23(2,3)15-9-11-20-17(13-15)16-12-14(8-10-19(16)25-20)22-24-18-6-4-5-7-21(18)26-22;1-23(2,3)19-14-12-17(13-15-19)16-8-10-18(11-9-16)22-24-20-6-4-5-7-21(20)25-22;1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-20-17-13-7-8-14-18(17)22-19;2*1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-13H,1-3H3;4-15H,1-3H3;1-14H;2*4-11H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine?
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine has a molecular weight of 1888.63 g/mol, XLogP of 36.63, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-(8-tert-butyldibenzofuran-2-yl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-[4-(4-tert-butylphenyl)phenyl]-1,3-benzothiazole;N,N-diphenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 163935757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).