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

C21H25N7S — CID 143465198

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

(E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine (PubChem CID 143465198) has the molecular formula C21H25N7S and a molecular weight of 407.55 g/mol. Its IUPAC name is (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine.

Molecular Properties

• Compound Name: (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine
• PubChem CID: 143465198
• Molecular Formula: C21H25N7S
• Molecular Weight: 407.55 g/mol
• Exact Mass: 407.19
• IUPAC Name: (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine
• SMILES: C=C1/C(=N\c2cc(C)ns2)NC(C2=CCNCC2)=CN1/C(=C\C)c1cnn(C)c1
• InChI: InChI=1S/C21H25N7S/c1-5-19(17-11-23-27(4)12-17)28-13-18(16-6-8-22-9-7-16)24-21(15(28)3)25-20-10-14(2)26-29-20/h5-6,10-13,22H,3,7-9H2,1-2,4H3,(H,24,25)/b19-5-
• InChIKey: YSFDRWICYSQIFT-IPKBDRFQSA-N
• XLogP: 3.46
• TPSA: 70.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine?

The IUPAC name of (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine (CID 143465198) is (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine.

What is the SMILES notation for (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine?

The canonical SMILES for (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine is C=C1/C(=N\c2cc(C)ns2)NC(C2=CCNCC2)=CN1/C(=C\C)c1cnn(C)c1.

What is the InChIKey of (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine?

The InChIKey is YSFDRWICYSQIFT-IPKBDRFQSA-N. The full InChI is InChI=1S/C21H25N7S/c1-5-19(17-11-23-27(4)12-17)28-13-18(16-6-8-22-9-7-16)24-21(15(28)3)25-20-10-14(2)26-29-20/h5-6,10-13,22H,3,7-9H2,1-2,4H3,(H,24,25)/b19-5-.

What are the key properties of (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine?

(E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine has a molecular weight of 407.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine is sourced from PubChem (CID 143465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).