1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine

C36H32N8S2 — CID 158431783

IUPAC1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)cn3)s2)nc1.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)s2)cn1
InChIInChI=1S/2C18H16N4S/c1-11(19)15-5-3-13(9-21-15)17-7-8-18(23-17)14-4-6-16(12(2)20)22-10-14;1-11(19)13-3-5-15(21-9-13)17-7-8-18(23-17)16-6-4-14(10-22-16)12(2)20/h2*3-10H,1-2,19-20H2
InChIKeyHBTAHDKNGGAMKZ-UHFFFAOYSA-N
MW640.84 g/mol
LogP7.46
Rot. Bonds8

About 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine

1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine (PubChem CID 158431783) has the molecular formula C36H32N8S2 and a molecular weight of 640.84 g/mol. Its IUPAC name is 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine
PubChem CID158431783
Molecular FormulaC36H32N8S2
Molecular Weight640.84 g/mol
Exact Mass640.22
IUPAC Name1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)cn3)s2)nc1.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)s2)cn1
InChIInChI=1S/2C18H16N4S/c1-11(19)15-5-3-13(9-21-15)17-7-8-18(23-17)14-4-6-16(12(2)20)22-10-14;1-11(19)13-3-5-15(21-9-13)17-7-8-18(23-17)16-6-4-14(10-22-16)12(2)20/h2*3-10H,1-2,19-20H2
InChIKeyHBTAHDKNGGAMKZ-UHFFFAOYSA-N
XLogP7.46
TPSA155.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.84
LogP ≤ 57.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine with MolForge

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Related Compounds

1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine
CID 58985480
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
CID 25271457
2,5-bis(5-iodothiophen-2-yl)pyridine
CID 57407540
2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
CID 144811588
trimethoxy-[5-[5-(5-trimethoxysilylthiophen-2-yl)-2-pyridinyl]thiophen-2-yl]silane
CID 57407583
[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 144819088
4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
CID 58478012
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
5-[1-(4-phenylanilino)ethenyl]pyridine-2-carboxamide
CID 144819045
1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
CID 166320249
6-(1-aminoethenyl)-N-phenylpyridin-3-amine
CID 143801303

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine?
The IUPAC name of 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine (CID 158431783) is 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine.
What is the SMILES notation for 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine?
The canonical SMILES for 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine is C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)cn3)s2)nc1.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)s2)cn1.
What is the InChIKey of 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine?
The InChIKey is HBTAHDKNGGAMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N4S/c1-11(19)15-5-3-13(9-21-15)17-7-8-18(23-17)14-4-6-16(12(2)20)22-10-14;1-11(19)13-3-5-15(21-9-13)17-7-8-18(23-17)16-6-4-14(10-22-16)12(2)20/h2*3-10H,1-2,19-20H2.
What are the key properties of 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine?
1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine has a molecular weight of 640.84 g/mol, XLogP of 7.46, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine is sourced from PubChem (CID 158431783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).