5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol

C6H11NOS — CID 123240033

IUPAC5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol
SMILESCCC1(S)CC(C)=NO1
InChIInChI=1S/C6H11NOS/c1-3-6(9)4-5(2)7-8-6/h9H,3-4H2,1-2H3
InChIKeyBGRVBNDWSUICAV-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.82
Rot. Bonds1

About 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol

5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol (PubChem CID 123240033) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol.

Molecular Properties

Compound Name5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol
PubChem CID123240033
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol
SMILESCCC1(S)CC(C)=NO1
InChIInChI=1S/C6H11NOS/c1-3-6(9)4-5(2)7-8-6/h9H,3-4H2,1-2H3
InChIKeyBGRVBNDWSUICAV-UHFFFAOYSA-N
XLogP1.82
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754
2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
CID 134338083
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
CID 146290036
3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole
CID 170213911
3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
CID 20644760
(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol
CID 40523018
3,5-dimethyl-4H-1,2-oxazole-5-carbaldehyde
CID 146859133
(3-methyl-5-phosphono-4H-1,2-oxazol-5-yl)phosphonic acid
CID 19756907
3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 91362662
3-chloro-5-ethyl-4H-1,2-oxazole-5-carbaldehyde
CID 175586416
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol?
The IUPAC name of 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol (CID 123240033) is 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol.
What is the SMILES notation for 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol?
The canonical SMILES for 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol is CCC1(S)CC(C)=NO1.
What is the InChIKey of 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol?
The InChIKey is BGRVBNDWSUICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-6(9)4-5(2)7-8-6/h9H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol?
5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol has a molecular weight of 145.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol is sourced from PubChem (CID 123240033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).