ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine

C17H21N5S — CID 143460682

IUPACethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine
SMILESC=C1C(Nc2cccs2)=NC=CN1/C(=C\C)c1cn[nH]c1.CC
InChIInChI=1S/C15H15N5S.C2H6/c1-3-13(12-9-17-18-10-12)20-7-6-16-15(11(20)2)19-14-5-4-8-21-14;1-2/h3-10H,2H2,1H3,(H,16,19)(H,17,18);1-2H3/b13-3-;
InChIKeyBLCOYVZJZVVYRB-OUPYKXEUSA-N
MW327.46 g/mol
LogP4.67
Rot. Bonds3

About ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine

ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine (PubChem CID 143460682) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine.

Molecular Properties

Compound Nameethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine
PubChem CID143460682
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Nameethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine
SMILESC=C1C(Nc2cccs2)=NC=CN1/C(=C\C)c1cn[nH]c1.CC
InChIInChI=1S/C15H15N5S.C2H6/c1-3-13(12-9-17-18-10-12)20-7-6-16-15(11(20)2)19-14-5-4-8-21-14;1-2/h3-10H,2H2,1H3,(H,16,19)(H,17,18);1-2H3/b13-3-;
InChIKeyBLCOYVZJZVVYRB-OUPYKXEUSA-N
XLogP4.67
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine?
The IUPAC name of ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine (CID 143460682) is ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine.
What is the SMILES notation for ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine?
The canonical SMILES for ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine is C=C1C(Nc2cccs2)=NC=CN1/C(=C\C)c1cn[nH]c1.CC.
What is the InChIKey of ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine?
The InChIKey is BLCOYVZJZVVYRB-OUPYKXEUSA-N. The full InChI is InChI=1S/C15H15N5S.C2H6/c1-3-13(12-9-17-18-10-12)20-7-6-16-15(11(20)2)19-14-5-4-8-21-14;1-2/h3-10H,2H2,1H3,(H,16,19)(H,17,18);1-2H3/b13-3-;.
What are the key properties of ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine?
ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine has a molecular weight of 327.46 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-4-[(Z)-1-(1H-pyrazol-4-yl)prop-1-enyl]-N-thiophen-2-ylpyrazin-2-amine is sourced from PubChem (CID 143460682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).