[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate

C29H34N6O3S2Si — CID 170542680

IUPAC[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C)(C)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1
InChIInChI=1S/C29H34N6O3S2Si/c1-6-27(36)37-20-41(4,5)38-18-17-21-9-11-22(12-10-21)31-33-26-19-25-28(40-26)30-29(39-25)34-32-23-13-15-24(16-14-23)35(7-2)8-3/h6,9-16,19H,1,7-8,17-18,20H2,2-5H3/b33-31+,34-32+
InChIKeyFDSOXYGSLCFPEJ-FMWAKIAMSA-N
MW606.85 g/mol
LogP9.07
Rot. Bonds14

About [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate

[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate (PubChem CID 170542680) has the molecular formula C29H34N6O3S2Si and a molecular weight of 606.85 g/mol. Its IUPAC name is [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate
PubChem CID170542680
Molecular FormulaC29H34N6O3S2Si
Molecular Weight606.85 g/mol
Exact Mass606.19
IUPAC Name[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate
SMILESC=CC(=O)OC[Si](C)(C)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1
InChIInChI=1S/C29H34N6O3S2Si/c1-6-27(36)37-20-41(4,5)38-18-17-21-9-11-22(12-10-21)31-33-26-19-25-28(40-26)30-29(39-25)34-32-23-13-15-24(16-14-23)35(7-2)8-3/h6,9-16,19H,1,7-8,17-18,20H2,2-5H3/b33-31+,34-32+
InChIKeyFDSOXYGSLCFPEJ-FMWAKIAMSA-N
XLogP9.07
TPSA101.10 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.85
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate?
The IUPAC name of [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate (CID 170542680) is [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate.
What is the SMILES notation for [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate?
The canonical SMILES for [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate is C=CC(=O)OC[Si](C)(C)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1.
What is the InChIKey of [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate?
The InChIKey is FDSOXYGSLCFPEJ-FMWAKIAMSA-N. The full InChI is InChI=1S/C29H34N6O3S2Si/c1-6-27(36)37-20-41(4,5)38-18-17-21-9-11-22(12-10-21)31-33-26-19-25-28(40-26)30-29(39-25)34-32-23-13-15-24(16-14-23)35(7-2)8-3/h6,9-16,19H,1,7-8,17-18,20H2,2-5H3/b33-31+,34-32+.
What are the key properties of [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate?
[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate has a molecular weight of 606.85 g/mol, XLogP of 9.07, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate is sourced from PubChem (CID 170542680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).