4-[(E)-3-methylbut-1-enyl]-1,3-thiazole

C8H11NS — CID 59026994

IUPAC4-[(E)-3-methylbut-1-enyl]-1,3-thiazole
SMILESCC(C)/C=C/c1cscn1
InChIInChI=1S/C8H11NS/c1-7(2)3-4-8-5-10-6-9-8/h3-7H,1-2H3/b4-3+
InChIKeyIICUGZROYVQFDC-ONEGZZNKSA-N
MW153.25 g/mol
LogP2.81
Rot. Bonds2

About 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole

4-[(E)-3-methylbut-1-enyl]-1,3-thiazole (PubChem CID 59026994) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(E)-3-methylbut-1-enyl]-1,3-thiazole
PubChem CID59026994
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-[(E)-3-methylbut-1-enyl]-1,3-thiazole
SMILESCC(C)/C=C/c1cscn1
InChIInChI=1S/C8H11NS/c1-7(2)3-4-8-5-10-6-9-8/h3-7H,1-2H3/b4-3+
InChIKeyIICUGZROYVQFDC-ONEGZZNKSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole?
The IUPAC name of 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole (CID 59026994) is 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole.
What is the SMILES notation for 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole?
The canonical SMILES for 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole is CC(C)/C=C/c1cscn1.
What is the InChIKey of 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole?
The InChIKey is IICUGZROYVQFDC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11NS/c1-7(2)3-4-8-5-10-6-9-8/h3-7H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole?
4-[(E)-3-methylbut-1-enyl]-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methylbut-1-enyl]-1,3-thiazole is sourced from PubChem (CID 59026994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).