4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole

C8H13NS — CID 121327428

IUPAC4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC/C=C\C1CSC(C)=N1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-
InChIKeyZNONWGYTGWFBCF-PLNGDYQASA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole

4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 121327428) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID121327428
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC/C=C\C1CSC(C)=N1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-
InChIKeyZNONWGYTGWFBCF-PLNGDYQASA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole (CID 121327428) is 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole is CC/C=C\C1CSC(C)=N1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is ZNONWGYTGWFBCF-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 121327428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).