2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole

C11H19NS — CID 141427364

IUPAC2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole
SMILESCC(C)=C(C)CCC1(C)NC=CS1
InChIInChI=1S/C11H19NS/c1-9(2)10(3)5-6-11(4)12-7-8-13-11/h7-8,12H,5-6H2,1-4H3
InChIKeyUKIWGULVDZFVJW-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.65
Rot. Bonds3

About 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole

2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole (PubChem CID 141427364) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole
PubChem CID141427364
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole
SMILESCC(C)=C(C)CCC1(C)NC=CS1
InChIInChI=1S/C11H19NS/c1-9(2)10(3)5-6-11(4)12-7-8-13-11/h7-8,12H,5-6H2,1-4H3
InChIKeyUKIWGULVDZFVJW-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole (CID 141427364) is 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole is CC(C)=C(C)CCC1(C)NC=CS1.
What is the InChIKey of 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole?
The InChIKey is UKIWGULVDZFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-9(2)10(3)5-6-11(4)12-7-8-13-11/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole?
2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpent-3-enyl)-2-methyl-3H-1,3-thiazole is sourced from PubChem (CID 141427364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).