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

C7H11NS — CID 522877

IUPAC2-ethyl-4,5-dimethyl-1,3-thiazole
SMILESCCc1nc(C)c(C)s1
InChIInChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
InChIKeyBVOKJOZBJOWZNJ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.32
Rot. Bonds1

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

2-ethyl-4,5-dimethyl-1,3-thiazole (PubChem CID 522877) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-1,3-thiazole
PubChem CID522877
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-ethyl-4,5-dimethyl-1,3-thiazole
SMILESCCc1nc(C)c(C)s1
InChIInChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
InChIKeyBVOKJOZBJOWZNJ-UHFFFAOYSA-N
XLogP2.32
TPSA12.89 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 ≤ 52.32
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-1,3-thiazole?
The IUPAC name of 2-ethyl-4,5-dimethyl-1,3-thiazole (CID 522877) is 2-ethyl-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-4,5-dimethyl-1,3-thiazole is CCc1nc(C)c(C)s1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-1,3-thiazole?
The InChIKey is BVOKJOZBJOWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3.
What are the key properties of 2-ethyl-4,5-dimethyl-1,3-thiazole?
2-ethyl-4,5-dimethyl-1,3-thiazole has a molecular weight of 141.24 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-1,3-thiazole is sourced from PubChem (CID 522877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).