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

C6H9NS — CID 20770534

IUPAC5-ethyl-3-methyl-1,2-thiazole
SMILESCCc1cc(C)ns1
InChIInChI=1S/C6H9NS/c1-3-6-4-5(2)7-8-6/h4H,3H2,1-2H3
InChIKeyNNTSKJHCKCKGJG-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.01
Rot. Bonds1

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

5-ethyl-3-methyl-1,2-thiazole (PubChem CID 20770534) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2-thiazole
PubChem CID20770534
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name5-ethyl-3-methyl-1,2-thiazole
SMILESCCc1cc(C)ns1
InChIInChI=1S/C6H9NS/c1-3-6-4-5(2)7-8-6/h4H,3H2,1-2H3
InChIKeyNNTSKJHCKCKGJG-UHFFFAOYSA-N
XLogP2.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,2-thiazole?
The IUPAC name of 5-ethyl-3-methyl-1,2-thiazole (CID 20770534) is 5-ethyl-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-ethyl-3-methyl-1,2-thiazole?
The canonical SMILES for 5-ethyl-3-methyl-1,2-thiazole is CCc1cc(C)ns1.
What is the InChIKey of 5-ethyl-3-methyl-1,2-thiazole?
The InChIKey is NNTSKJHCKCKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-6-4-5(2)7-8-6/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,2-thiazole?
5-ethyl-3-methyl-1,2-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 20770534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).