5-ethyl-2-methylsulfanyl-1,3-thiazole

C6H9NS2 — CID 20577908

IUPAC5-ethyl-2-methylsulfanyl-1,3-thiazole
SMILESCCc1cnc(SC)s1
InChIInChI=1S/C6H9NS2/c1-3-5-4-7-6(8-2)9-5/h4H,3H2,1-2H3
InChIKeyQTTVADZTRGEBEQ-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.43
Rot. Bonds2

About 5-ethyl-2-methylsulfanyl-1,3-thiazole

5-ethyl-2-methylsulfanyl-1,3-thiazole (PubChem CID 20577908) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 5-ethyl-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-methylsulfanyl-1,3-thiazole
PubChem CID20577908
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name5-ethyl-2-methylsulfanyl-1,3-thiazole
SMILESCCc1cnc(SC)s1
InChIInChI=1S/C6H9NS2/c1-3-5-4-7-6(8-2)9-5/h4H,3H2,1-2H3
InChIKeyQTTVADZTRGEBEQ-UHFFFAOYSA-N
XLogP2.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 5-ethyl-2-methylsulfanyl-1,3-thiazole (CID 20577908) is 5-ethyl-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-methylsulfanyl-1,3-thiazole is CCc1cnc(SC)s1.
What is the InChIKey of 5-ethyl-2-methylsulfanyl-1,3-thiazole?
The InChIKey is QTTVADZTRGEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-3-5-4-7-6(8-2)9-5/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methylsulfanyl-1,3-thiazole?
5-ethyl-2-methylsulfanyl-1,3-thiazole has a molecular weight of 159.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 20577908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).