4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole

C10H15NS — CID 89319226

IUPAC4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole
SMILESC=C1SC(C)=NC1(C)C/C=C\C
InChIInChI=1S/C10H15NS/c1-5-6-7-10(4)8(2)12-9(3)11-10/h5-6H,2,7H2,1,3-4H3/b6-5-
InChIKeyRHCRUBAJXRNULG-WAYWQWQTSA-N
MW181.30 g/mol
LogP3.39
Rot. Bonds2

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

4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole (PubChem CID 89319226) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole
PubChem CID89319226
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole
SMILESC=C1SC(C)=NC1(C)C/C=C\C
InChIInChI=1S/C10H15NS/c1-5-6-7-10(4)8(2)12-9(3)11-10/h5-6H,2,7H2,1,3-4H3/b6-5-
InChIKeyRHCRUBAJXRNULG-WAYWQWQTSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.39
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-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole?
The IUPAC name of 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole (CID 89319226) is 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole?
The canonical SMILES for 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole is C=C1SC(C)=NC1(C)C/C=C\C.
What is the InChIKey of 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole?
The InChIKey is RHCRUBAJXRNULG-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-6-7-10(4)8(2)12-9(3)11-10/h5-6H,2,7H2,1,3-4H3/b6-5-.
What are the key properties of 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole?
4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole is sourced from PubChem (CID 89319226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).