N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine

C20H22N4S2 — CID 143676453

IUPACN'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESC=C/C=C(NCCNc1[nH]ncc1-c1cccs1)/C(=C\C)c1cccs1
InChIInChI=1S/C20H22N4S2/c1-3-7-17(15(4-2)18-8-5-12-25-18)21-10-11-22-20-16(14-23-24-20)19-9-6-13-26-19/h3-9,12-14,21H,1,10-11H2,2H3,(H2,22,23,24)/b15-4+,17-7-
InChIKeyABRROCPGPNOTNM-CRNLNIINSA-N
MW382.56 g/mol
LogP5.37
Rot. Bonds9

About N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine

N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine (PubChem CID 143676453) has the molecular formula C20H22N4S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine
PubChem CID143676453
Molecular FormulaC20H22N4S2
Molecular Weight382.56 g/mol
Exact Mass382.13
IUPAC NameN'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESC=C/C=C(NCCNc1[nH]ncc1-c1cccs1)/C(=C\C)c1cccs1
InChIInChI=1S/C20H22N4S2/c1-3-7-17(15(4-2)18-8-5-12-25-18)21-10-11-22-20-16(14-23-24-20)19-9-6-13-26-19/h3-9,12-14,21H,1,10-11H2,2H3,(H2,22,23,24)/b15-4+,17-7-
InChIKeyABRROCPGPNOTNM-CRNLNIINSA-N
XLogP5.37
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.56
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine 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'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine (CID 143676453) is N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine is C=C/C=C(NCCNc1[nH]ncc1-c1cccs1)/C(=C\C)c1cccs1.
What is the InChIKey of N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is ABRROCPGPNOTNM-CRNLNIINSA-N. The full InChI is InChI=1S/C20H22N4S2/c1-3-7-17(15(4-2)18-8-5-12-25-18)21-10-11-22-20-16(14-23-24-20)19-9-6-13-26-19/h3-9,12-14,21H,1,10-11H2,2H3,(H2,22,23,24)/b15-4+,17-7-.
What are the key properties of N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine?
N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 382.56 g/mol, XLogP of 5.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E)-5-thiophen-2-ylhepta-1,3,5-trien-4-yl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 143676453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).