N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine

C14H14N4S — CID 82191464

IUPACN'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C14H14N4S/c15-7-8-16-14-11-5-2-1-4-10(11)13(17-18-14)12-6-3-9-19-12/h1-6,9H,7-8,15H2,(H,16,18)
InChIKeyVMGGOPCAIMMSRF-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.73
Rot. Bonds4

About N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine

N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine (PubChem CID 82191464) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
PubChem CID82191464
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C14H14N4S/c15-7-8-16-14-11-5-2-1-4-10(11)13(17-18-14)12-6-3-9-19-12/h1-6,9H,7-8,15H2,(H,16,18)
InChIKeyVMGGOPCAIMMSRF-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
CID 82191605
N-benzyl-4-thiophen-2-ylphthalazin-1-amine
CID 6401108
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
CID 11493617
N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine
CID 23876810
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
CID 107360998
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
1-N-propylphthalazine-1,4-diamine
CID 90689630

Frequently Asked Questions

What is the IUPAC name of N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine (CID 82191464) is N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine is NCCNc1nnc(-c2cccs2)c2ccccc12.
What is the InChIKey of N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine?
The InChIKey is VMGGOPCAIMMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-7-8-16-14-11-5-2-1-4-10(11)13(17-18-14)12-6-3-9-19-12/h1-6,9H,7-8,15H2,(H,16,18).
What are the key properties of N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine?
N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 82191464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).