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

C7H13NS — CID 5362584

IUPAC2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
SMILESCCC1N=C(C)C(C)S1
InChIInChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
InChIKeyCSACPVARWHDAET-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.32
Rot. Bonds1

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

2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole (PubChem CID 5362584) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
PubChem CID5362584
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
SMILESCCC1N=C(C)C(C)S1
InChIInChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
InChIKeyCSACPVARWHDAET-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The IUPAC name of 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole (CID 5362584) is 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole is CCC1N=C(C)C(C)S1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The InChIKey is CSACPVARWHDAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 5362584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).