4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone

C127H138N30OS12 — CID 160920861

IUPAC4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
SMILESCCCCCCN(CCCCCC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1.CCCCc1cc2sc(/N=N/c3ccc(/N=N/c4nc5sc(C)cc5s4)cc3)nc2s1.CCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1.CCCCc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(N5CCCC5)cc4)cc3s2)cc1.CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(C(C)=O)cc4)cc3s2)cc1
InChIInChI=1S/C33H44N6S2.C25H26N6S2.C25H28N6S2.C23H22N6OS2.C21H18N6S4/c1-4-7-10-12-23-39(24-13-11-8-5-2)29-21-19-28(20-22-29)36-38-33-34-32-30(40-33)25-31(41-32)37-35-27-17-15-26(16-18-27)14-9-6-3;1-2-3-6-18-7-9-19(10-8-18)28-30-25-26-24-22(32-25)17-23(33-24)29-27-20-11-13-21(14-12-20)31-15-4-5-16-31;1-4-7-8-18-9-11-19(12-10-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-13-15-21(16-14-20)31(5-2)6-3;1-4-29(5-2)19-12-10-18(11-13-19)26-28-23-24-22-20(31-23)14-21(32-22)27-25-17-8-6-16(7-9-17)15(3)30;1-3-4-5-15-11-17-19(29-15)23-21(31-17)27-25-14-8-6-13(7-9-14)24-26-20-22-18-16(30-20)10-12(2)28-18/h15-22,25H,4-14,23-24H2,1-3H3;7-14,17H,2-6,15-16H2,1H3;9-17H,4-8H2,1-3H3;6-14H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3/b37-35+,38-36+;2*29-27+,30-28+;27-25+,28-26+;26-24+,27-25+
InChIKeySRZWXJFVHCMYLC-UVPTWGCJSA-N
MW2485.51 g/mol
LogP48.76
Rot. Bonds51

About 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone

4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone (PubChem CID 160920861) has the molecular formula C127H138N30OS12 and a molecular weight of 2485.51 g/mol. Its IUPAC name is 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
PubChem CID160920861
Molecular FormulaC127H138N30OS12
Molecular Weight2485.51 g/mol
Exact Mass2482.83
IUPAC Name4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
SMILESCCCCCCN(CCCCCC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1.CCCCc1cc2sc(/N=N/c3ccc(/N=N/c4nc5sc(C)cc5s4)cc3)nc2s1.CCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1.CCCCc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(N5CCCC5)cc4)cc3s2)cc1.CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(C(C)=O)cc4)cc3s2)cc1
InChIInChI=1S/C33H44N6S2.C25H26N6S2.C25H28N6S2.C23H22N6OS2.C21H18N6S4/c1-4-7-10-12-23-39(24-13-11-8-5-2)29-21-19-28(20-22-29)36-38-33-34-32-30(40-33)25-31(41-32)37-35-27-17-15-26(16-18-27)14-9-6-3;1-2-3-6-18-7-9-19(10-8-18)28-30-25-26-24-22(32-25)17-23(33-24)29-27-20-11-13-21(14-12-20)31-15-4-5-16-31;1-4-7-8-18-9-11-19(12-10-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-13-15-21(16-14-20)31(5-2)6-3;1-4-29(5-2)19-12-10-18(11-13-19)26-28-23-24-22-20(31-23)14-21(32-22)27-25-17-8-6-16(7-9-17)15(3)30;1-3-4-5-15-11-17-19(29-15)23-21(31-17)27-25-14-8-6-13(7-9-14)24-26-20-22-18-16(30-20)10-12(2)28-18/h15-22,25H,4-14,23-24H2,1-3H3;7-14,17H,2-6,15-16H2,1H3;9-17H,4-8H2,1-3H3;6-14H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3/b37-35+,38-36+;2*29-27+,30-28+;27-25+,28-26+;26-24+,27-25+
InChIKeySRZWXJFVHCMYLC-UVPTWGCJSA-N
XLogP48.76
TPSA354.57 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds51
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.51
LogP ≤ 548.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The IUPAC name of 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone (CID 160920861) is 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The canonical SMILES for 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone is CCCCCCN(CCCCCC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1.CCCCc1cc2sc(/N=N/c3ccc(/N=N/c4nc5sc(C)cc5s4)cc3)nc2s1.CCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1.CCCCc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(N5CCCC5)cc4)cc3s2)cc1.CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(C(C)=O)cc4)cc3s2)cc1.
What is the InChIKey of 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The InChIKey is SRZWXJFVHCMYLC-UVPTWGCJSA-N. The full InChI is InChI=1S/C33H44N6S2.C25H26N6S2.C25H28N6S2.C23H22N6OS2.C21H18N6S4/c1-4-7-10-12-23-39(24-13-11-8-5-2)29-21-19-28(20-22-29)36-38-33-34-32-30(40-33)25-31(41-32)37-35-27-17-15-26(16-18-27)14-9-6-3;1-2-3-6-18-7-9-19(10-8-18)28-30-25-26-24-22(32-25)17-23(33-24)29-27-20-11-13-21(14-12-20)31-15-4-5-16-31;1-4-7-8-18-9-11-19(12-10-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-13-15-21(16-14-20)31(5-2)6-3;1-4-29(5-2)19-12-10-18(11-13-19)26-28-23-24-22-20(31-23)14-21(32-22)27-25-17-8-6-16(7-9-17)15(3)30;1-3-4-5-15-11-17-19(29-15)23-21(31-17)27-25-14-8-6-13(7-9-14)24-26-20-22-18-16(30-20)10-12(2)28-18/h15-22,25H,4-14,23-24H2,1-3H3;7-14,17H,2-6,15-16H2,1H3;9-17H,4-8H2,1-3H3;6-14H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3/b37-35+,38-36+;2*29-27+,30-28+;27-25+,28-26+;26-24+,27-25+.
What are the key properties of 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone has a molecular weight of 2485.51 g/mol, XLogP of 48.76, 51 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 160920861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).