5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole

C7H13NS2 — CID 14970523

IUPAC5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole
SMILESCCC1(C)CN=C(SC)S1
InChIInChI=1S/C7H13NS2/c1-4-7(2)5-8-6(9-3)10-7/h4-5H2,1-3H3
InChIKeyMJLWSGKIRAUVKH-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.62
Rot. Bonds1

About 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole

5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole (PubChem CID 14970523) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole
PubChem CID14970523
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole
SMILESCCC1(C)CN=C(SC)S1
InChIInChI=1S/C7H13NS2/c1-4-7(2)5-8-6(9-3)10-7/h4-5H2,1-3H3
InChIKeyMJLWSGKIRAUVKH-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole?
The IUPAC name of 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole (CID 14970523) is 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole.
What is the SMILES notation for 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole?
The canonical SMILES for 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole is CCC1(C)CN=C(SC)S1.
What is the InChIKey of 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole?
The InChIKey is MJLWSGKIRAUVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-4-7(2)5-8-6(9-3)10-7/h4-5H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole?
5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole has a molecular weight of 175.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-methylsulfanyl-4H-1,3-thiazole is sourced from PubChem (CID 14970523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).