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

C7H14N2S — CID 69061774

IUPACazane;2-ethyl-4,5-dimethyl-1,3-thiazole
SMILESCCc1nc(C)c(C)s1.N
InChIInChI=1S/C7H11NS.H3N/c1-4-7-8-5(2)6(3)9-7;/h4H2,1-3H3;1H3
InChIKeyWEEBBSCCTUZKNA-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.48
Rot. Bonds1

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

azane;2-ethyl-4,5-dimethyl-1,3-thiazole (PubChem CID 69061774) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is azane;2-ethyl-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Nameazane;2-ethyl-4,5-dimethyl-1,3-thiazole
PubChem CID69061774
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Nameazane;2-ethyl-4,5-dimethyl-1,3-thiazole
SMILESCCc1nc(C)c(C)s1.N
InChIInChI=1S/C7H11NS.H3N/c1-4-7-8-5(2)6(3)9-7;/h4H2,1-3H3;1H3
InChIKeyWEEBBSCCTUZKNA-UHFFFAOYSA-N
XLogP2.48
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;2-ethyl-4,5-dimethyl-1,3-thiazole?
The IUPAC name of azane;2-ethyl-4,5-dimethyl-1,3-thiazole (CID 69061774) is azane;2-ethyl-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for azane;2-ethyl-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for azane;2-ethyl-4,5-dimethyl-1,3-thiazole is CCc1nc(C)c(C)s1.N.
What is the InChIKey of azane;2-ethyl-4,5-dimethyl-1,3-thiazole?
The InChIKey is WEEBBSCCTUZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.H3N/c1-4-7-8-5(2)6(3)9-7;/h4H2,1-3H3;1H3.
What are the key properties of azane;2-ethyl-4,5-dimethyl-1,3-thiazole?
azane;2-ethyl-4,5-dimethyl-1,3-thiazole has a molecular weight of 158.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-ethyl-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 69061774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).