1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine

C18H23N7S — CID 143465293

IUPAC1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine
SMILESC=C1/C(=N\c2cc(C)ns2)NC(C(C)N)=CN1/C(=C\C)c1cnn(C)c1
InChIInChI=1S/C18H23N7S/c1-6-16(14-8-20-24(5)9-14)25-10-15(12(3)19)21-18(13(25)4)22-17-7-11(2)23-26-17/h6-10,12H,4,19H2,1-3,5H3,(H,21,22)/b16-6-
InChIKeyUUTZEYBYDWMPNV-SOFYXZRVSA-N
MW369.50 g/mol
LogP2.88
Rot. Bonds4

About 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine

1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine (PubChem CID 143465293) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine
PubChem CID143465293
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine
SMILESC=C1/C(=N\c2cc(C)ns2)NC(C(C)N)=CN1/C(=C\C)c1cnn(C)c1
InChIInChI=1S/C18H23N7S/c1-6-16(14-8-20-24(5)9-14)25-10-15(12(3)19)21-18(13(25)4)22-17-7-11(2)23-26-17/h6-10,12H,4,19H2,1-3,5H3,(H,21,22)/b16-6-
InChIKeyUUTZEYBYDWMPNV-SOFYXZRVSA-N
XLogP2.88
TPSA84.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine?
The IUPAC name of 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine (CID 143465293) is 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine.
What is the SMILES notation for 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine?
The canonical SMILES for 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine is C=C1/C(=N\c2cc(C)ns2)NC(C(C)N)=CN1/C(=C\C)c1cnn(C)c1.
What is the InChIKey of 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine?
The InChIKey is UUTZEYBYDWMPNV-SOFYXZRVSA-N. The full InChI is InChI=1S/C18H23N7S/c1-6-16(14-8-20-24(5)9-14)25-10-15(12(3)19)21-18(13(25)4)22-17-7-11(2)23-26-17/h6-10,12H,4,19H2,1-3,5H3,(H,21,22)/b16-6-.
What are the key properties of 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine?
1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine has a molecular weight of 369.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6E)-5-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-6-[(3-methyl-1,2-thiazol-5-yl)imino]-1H-pyrazin-2-yl]ethanamine is sourced from PubChem (CID 143465293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).