N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide

C18H22N4OS — CID 143160479

IUPACN'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide
SMILESC/C=C\C(=C/C)N(C)/C=N/c1c(C=O)sc2nccc(NCC)c12
InChIInChI=1S/C18H22N4OS/c1-5-8-13(6-2)22(4)12-21-17-15(11-23)24-18-16(17)14(19-7-3)9-10-20-18/h5-6,8-12H,7H2,1-4H3,(H,19,20)/b8-5-,13-6+,21-12+
InChIKeyOBDMENUAHHLUPF-CTJQLEJYSA-N
MW342.47 g/mol
LogP4.61
Rot. Bonds7

About N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide

N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide (PubChem CID 143160479) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide
PubChem CID143160479
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide
SMILESC/C=C\C(=C/C)N(C)/C=N/c1c(C=O)sc2nccc(NCC)c12
InChIInChI=1S/C18H22N4OS/c1-5-8-13(6-2)22(4)12-21-17-15(11-23)24-18-16(17)14(19-7-3)9-10-20-18/h5-6,8-12H,7H2,1-4H3,(H,19,20)/b8-5-,13-6+,21-12+
InChIKeyOBDMENUAHHLUPF-CTJQLEJYSA-N
XLogP4.61
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide?
The IUPAC name of N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide (CID 143160479) is N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide is C/C=C\C(=C/C)N(C)/C=N/c1c(C=O)sc2nccc(NCC)c12.
What is the InChIKey of N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide?
The InChIKey is OBDMENUAHHLUPF-CTJQLEJYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-5-8-13(6-2)22(4)12-21-17-15(11-23)24-18-16(17)14(19-7-3)9-10-20-18/h5-6,8-12H,7H2,1-4H3,(H,19,20)/b8-5-,13-6+,21-12+.
What are the key properties of N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide?
N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide has a molecular weight of 342.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide is sourced from PubChem (CID 143160479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).