2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole

C89H60F15N9OS15 — CID 158298569

IUPAC2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(ccc3oc(N(C)C)nc32)s1.Cc1cc2c(ccc3sc(C)nc32)s1.Cc1cc2c(s1)c(C)cc1sc(C)nc12.Cc1cc2sc(C(F)(F)F)nc2c2ccsc12.Cc1nc2c(cc(C)c3sccc32)s1.Cc1nc2c(ccc3sccc32)s1.FC(F)(F)c1cc2c(s1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12.FC(F)(F)c1cc2scnc2c2ccsc12
InChIInChI=1S/C12H2F9NS2.C12H12N2OS.C12H11NS2.C11H6F3NS2.2C11H9NS2.C10H4F3NS2.C10H7NS2/c13-10(14,15)4-2-5-7(22-9(23-5)12(19,20)21)3-1-6(11(16,17)18)24-8(3)4;1-7-6-8-10(16-7)5-4-9-11(8)13-12(15-9)14(2)3;1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9;1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14;1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10;1-6-5-9-10(12-7(2)14-9)8-3-4-13-11(6)8;11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6;1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h1-2H;4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;2*3-5H,1-2H3;1-4H;2-5H,1H3
InChIKeyGMFIUHDUNIWDAF-UHFFFAOYSA-N
MW2037.50 g/mol
LogP35.86
Rot. Bonds1

About 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole

2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole (PubChem CID 158298569) has the molecular formula C89H60F15N9OS15 and a molecular weight of 2037.50 g/mol. Its IUPAC name is 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole
PubChem CID158298569
Molecular FormulaC89H60F15N9OS15
Molecular Weight2037.50 g/mol
Exact Mass2035.05
IUPAC Name2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(ccc3oc(N(C)C)nc32)s1.Cc1cc2c(ccc3sc(C)nc32)s1.Cc1cc2c(s1)c(C)cc1sc(C)nc12.Cc1cc2sc(C(F)(F)F)nc2c2ccsc12.Cc1nc2c(cc(C)c3sccc32)s1.Cc1nc2c(ccc3sccc32)s1.FC(F)(F)c1cc2c(s1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12.FC(F)(F)c1cc2scnc2c2ccsc12
InChIInChI=1S/C12H2F9NS2.C12H12N2OS.C12H11NS2.C11H6F3NS2.2C11H9NS2.C10H4F3NS2.C10H7NS2/c13-10(14,15)4-2-5-7(22-9(23-5)12(19,20)21)3-1-6(11(16,17)18)24-8(3)4;1-7-6-8-10(16-7)5-4-9-11(8)13-12(15-9)14(2)3;1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9;1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14;1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10;1-6-5-9-10(12-7(2)14-9)8-3-4-13-11(6)8;11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6;1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h1-2H;4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;2*3-5H,1-2H3;1-4H;2-5H,1H3
InChIKeyGMFIUHDUNIWDAF-UHFFFAOYSA-N
XLogP35.86
TPSA119.50 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds1
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.50
LogP ≤ 535.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole with MolForge

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Related Compounds

[4-(1,3-benzothiazol-4-yl)phenyl]-trimethylsilane;4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-(9,9-dimethylfluoren-2-yl)-1,3-benzothiazole;4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,3-benzothiazole;4-(2-methylphenyl)-1,3-benzothiazole;4-(3-methylphenyl)-1,3-benzothiazole;4-(4-methylphenyl)-1,3-benzothiazole;4-naphthalen-1-yl-1,3-benzothiazole;4-phenyl-1,3-benzothiazole;4-(4-phenylphenyl)-1,3-benzothiazole;4-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole;4-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 158177825
benzo[e][1,3]benzoxazole;2,7-dimethylbenzo[e][1,3]benzoxazole;2-methyl-7-phenylbenzo[e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzothiazol-7-yl)silane;N,N,7-trimethylthieno[3,2-e][1,3]benzothiazol-2-amine
CID 160002430
2,5-Dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole
CID 160670137
9-(1,3-Benzothiazol-2-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzothiazol-2-yl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzothiazol-2-yl)-22-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzothiazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(22-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 158806686
7-(1,3-Benzothiazol-2-yl)-[1]benzothiolo[2,3-b]carbazole;2-([1]benzothiolo[3,2-a]carbazol-12-yl)-1,3-benzoxazole;2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole;2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-1,3-benzoxazole
CID 161448017

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole?
The IUPAC name of 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole (CID 158298569) is 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole is Cc1cc2c(ccc3oc(N(C)C)nc32)s1.Cc1cc2c(ccc3sc(C)nc32)s1.Cc1cc2c(s1)c(C)cc1sc(C)nc12.Cc1cc2sc(C(F)(F)F)nc2c2ccsc12.Cc1nc2c(cc(C)c3sccc32)s1.Cc1nc2c(ccc3sccc32)s1.FC(F)(F)c1cc2c(s1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12.FC(F)(F)c1cc2scnc2c2ccsc12.
What is the InChIKey of 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole?
The InChIKey is GMFIUHDUNIWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F9NS2.C12H12N2OS.C12H11NS2.C11H6F3NS2.2C11H9NS2.C10H4F3NS2.C10H7NS2/c13-10(14,15)4-2-5-7(22-9(23-5)12(19,20)21)3-1-6(11(16,17)18)24-8(3)4;1-7-6-8-10(16-7)5-4-9-11(8)13-12(15-9)14(2)3;1-6-4-10-11(13-8(3)15-10)9-5-7(2)14-12(6)9;1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14;1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10;1-6-5-9-10(12-7(2)14-9)8-3-4-13-11(6)8;11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6;1-6-11-10-7-4-5-12-8(7)2-3-9(10)13-6/h1-2H;4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;2*3-5H,1-2H3;1-4H;2-5H,1H3.
What are the key properties of 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole?
2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole has a molecular weight of 2037.50 g/mol, XLogP of 35.86, 1 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthieno[3,2-e][1,3]benzothiazole;2,7-dimethylthieno[3,2-e][1,3]benzothiazole;2-methylthieno[3,2-e][1,3]benzothiazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole;2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole;N,N,7-trimethylthieno[3,2-e][1,3]benzoxazol-2-amine;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 158298569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).