4,5-diethyl-1,3-thiazole

C7H11NS — CID 19871463

IUPAC4,5-diethyl-1,3-thiazole
SMILESCCc1ncsc1CC
InChIInChI=1S/C7H11NS/c1-3-6-7(4-2)9-5-8-6/h5H,3-4H2,1-2H3
InChIKeyIGMHDSLRWSOXOW-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.27
Rot. Bonds2

About 4,5-diethyl-1,3-thiazole

4,5-diethyl-1,3-thiazole (PubChem CID 19871463) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4,5-diethyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-diethyl-1,3-thiazole
PubChem CID19871463
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4,5-diethyl-1,3-thiazole
SMILESCCc1ncsc1CC
InChIInChI=1S/C7H11NS/c1-3-6-7(4-2)9-5-8-6/h5H,3-4H2,1-2H3
InChIKeyIGMHDSLRWSOXOW-UHFFFAOYSA-N
XLogP2.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-thiazole?
The IUPAC name of 4,5-diethyl-1,3-thiazole (CID 19871463) is 4,5-diethyl-1,3-thiazole.
What is the SMILES notation for 4,5-diethyl-1,3-thiazole?
The canonical SMILES for 4,5-diethyl-1,3-thiazole is CCc1ncsc1CC.
What is the InChIKey of 4,5-diethyl-1,3-thiazole?
The InChIKey is IGMHDSLRWSOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6-7(4-2)9-5-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,3-thiazole?
4,5-diethyl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-thiazole is sourced from PubChem (CID 19871463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).