5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole

C10H11NS2 — CID 45094920

IUPAC5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCCc1sc(-c2cccs2)nc1C
InChIInChI=1S/C10H11NS2/c1-3-8-7(2)11-10(13-8)9-5-4-6-12-9/h4-6H,3H2,1-2H3
InChIKeyFUQUKUOZYIUEFK-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.74
Rot. Bonds2

About 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole

5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 45094920) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID45094920
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCCc1sc(-c2cccs2)nc1C
InChIInChI=1S/C10H11NS2/c1-3-8-7(2)11-10(13-8)9-5-4-6-12-9/h4-6H,3H2,1-2H3
InChIKeyFUQUKUOZYIUEFK-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole (CID 45094920) is 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole is CCc1sc(-c2cccs2)nc1C.
What is the InChIKey of 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is FUQUKUOZYIUEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-3-8-7(2)11-10(13-8)9-5-4-6-12-9/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole?
5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 209.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 45094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).