(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine

C7H10N2S — CID 139302953

IUPAC(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C\C)C1=NCCS1
InChIInChI=1S/C7H10N2S/c1-2-3-6(8)7-9-4-5-10-7/h2-3,8H,4-5H2,1H3/b3-2+,8-6+
InChIKeyHWUPKPWCSQZTEA-IQMDXYROSA-N
MW154.24 g/mol
LogP1.73
Rot. Bonds2

About (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine

(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine (PubChem CID 139302953) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine
PubChem CID139302953
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C\C)C1=NCCS1
InChIInChI=1S/C7H10N2S/c1-2-3-6(8)7-9-4-5-10-7/h2-3,8H,4-5H2,1H3/b3-2+,8-6+
InChIKeyHWUPKPWCSQZTEA-IQMDXYROSA-N
XLogP1.73
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-N-methyl-2-methyliminopent-3-enimidothioate
CID 144510646

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine?
The IUPAC name of (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine (CID 139302953) is (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine?
The canonical SMILES for (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine is [H]/N=C(\C=C\C)C1=NCCS1.
What is the InChIKey of (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine?
The InChIKey is HWUPKPWCSQZTEA-IQMDXYROSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-3-6(8)7-9-4-5-10-7/h2-3,8H,4-5H2,1H3/b3-2+,8-6+.
What are the key properties of (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine?
(E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine has a molecular weight of 154.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4,5-dihydro-1,3-thiazol-2-yl)but-2-en-1-imine is sourced from PubChem (CID 139302953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).