[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone

C20H21N3OS2 — CID 10833863

IUPAC[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone
SMILESC/C(=N\c1csc2sc(C(=O)c3ccccc3)c(N)c12)N1CCCCC1
InChIInChI=1S/C20H21N3OS2/c1-13(23-10-6-3-7-11-23)22-15-12-25-20-16(15)17(21)19(26-20)18(24)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,21H2,1H3/b22-13+
InChIKeyCVIQOWIZUYUDGW-LPYMAVHISA-N
MW383.54 g/mol
LogP5.31
Rot. Bonds3

About [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone

[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone (PubChem CID 10833863) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone
PubChem CID10833863
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone
SMILESC/C(=N\c1csc2sc(C(=O)c3ccccc3)c(N)c12)N1CCCCC1
InChIInChI=1S/C20H21N3OS2/c1-13(23-10-6-3-7-11-23)22-15-12-25-20-16(15)17(21)19(26-20)18(24)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,21H2,1H3/b22-13+
InChIKeyCVIQOWIZUYUDGW-LPYMAVHISA-N
XLogP5.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
CID 39047303
(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
CID 15414607
(3-amino-5-thia-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-4-yl)-phenylmethanone
CID 14892081
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 35177384
[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenylmethanone
CID 2816888
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
6-methyl-3-(1-piperidin-1-ylethylideneamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10092352
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone (CID 10833863) is [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone is C/C(=N\c1csc2sc(C(=O)c3ccccc3)c(N)c12)N1CCCCC1.
What is the InChIKey of [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone?
The InChIKey is CVIQOWIZUYUDGW-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-13(23-10-6-3-7-11-23)22-15-12-25-20-16(15)17(21)19(26-20)18(24)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,21H2,1H3/b22-13+.
What are the key properties of [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone?
[4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone has a molecular weight of 383.54 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]thiophen-5-yl]-phenylmethanone is sourced from PubChem (CID 10833863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).