2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate

C25H24N6O2S2 — CID 167346497

IUPAC2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(NCC)cc4)nc3s2)cc1
InChIInChI=1S/C25H24N6O2S2/c1-4-26-18-9-11-20(12-10-18)29-31-25-27-23-21(34-25)15-22(35-23)30-28-19-7-5-17(6-8-19)13-14-33-24(32)16(2)3/h5-12,15,26H,2,4,13-14H2,1,3H3/b30-28+,31-29+
InChIKeyZCWOOFZHRPOZTD-FUEWEDNTSA-N
MW504.64 g/mol
LogP8.28
Rot. Bonds10

About 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate

2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 167346497) has the molecular formula C25H24N6O2S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate
PubChem CID167346497
Molecular FormulaC25H24N6O2S2
Molecular Weight504.64 g/mol
Exact Mass504.14
IUPAC Name2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(NCC)cc4)nc3s2)cc1
InChIInChI=1S/C25H24N6O2S2/c1-4-26-18-9-11-20(12-10-18)29-31-25-27-23-21(34-25)15-22(35-23)30-28-19-7-5-17(6-8-19)13-14-33-24(32)16(2)3/h5-12,15,26H,2,4,13-14H2,1,3H3/b30-28+,31-29+
InChIKeyZCWOOFZHRPOZTD-FUEWEDNTSA-N
XLogP8.28
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate (CID 167346497) is 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(NCC)cc4)nc3s2)cc1.
What is the InChIKey of 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is ZCWOOFZHRPOZTD-FUEWEDNTSA-N. The full InChI is InChI=1S/C25H24N6O2S2/c1-4-26-18-9-11-20(12-10-18)29-31-25-27-23-21(34-25)15-22(35-23)30-28-19-7-5-17(6-8-19)13-14-33-24(32)16(2)3/h5-12,15,26H,2,4,13-14H2,1,3H3/b30-28+,31-29+.
What are the key properties of 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate?
2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 504.64 g/mol, XLogP of 8.28, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 167346497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).