7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide

C21H20N4O3S2 — CID 171152177

IUPAC7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3cc4sccc4s3)oc2c1
InChIInChI=1S/C21H20N4O3S2/c1-3-25(4-2)13-6-5-12-9-14(19(22)26)21(28-15(12)10-13)24-23-20(27)18-11-17-16(30-18)7-8-29-17/h5-11H,3-4H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyHCRIAXGBLURDAQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.90
Rot. Bonds6

About 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide

7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide (PubChem CID 171152177) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide
PubChem CID171152177
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC Name7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3cc4sccc4s3)oc2c1
InChIInChI=1S/C21H20N4O3S2/c1-3-25(4-2)13-6-5-12-9-14(19(22)26)21(28-15(12)10-13)24-23-20(27)18-11-17-16(30-18)7-8-29-17/h5-11H,3-4H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyHCRIAXGBLURDAQ-UHFFFAOYSA-N
XLogP3.90
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide (CID 171152177) is 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3cc4sccc4s3)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide?
The InChIKey is HCRIAXGBLURDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-3-25(4-2)13-6-5-12-9-14(19(22)26)21(28-15(12)10-13)24-23-20(27)18-11-17-16(30-18)7-8-29-17/h5-11H,3-4H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide?
7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide is sourced from PubChem (CID 171152177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).