2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole

C7H11NS — CID 163543734

IUPAC2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESC=CC1=NC(C)C(C)S1
InChIInChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4-6H,1H2,2-3H3
InChIKeyFDGATFNCUVHNGL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.09
Rot. Bonds1

About 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole

2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 163543734) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID163543734
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESC=CC1=NC(C)C(C)S1
InChIInChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4-6H,1H2,2-3H3
InChIKeyFDGATFNCUVHNGL-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole (CID 163543734) is 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole is C=CC1=NC(C)C(C)S1.
What is the InChIKey of 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is FDGATFNCUVHNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4-6H,1H2,2-3H3.
What are the key properties of 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 163543734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).