2-ethyl-3H-1,2-thiazole 1-oxide

C5H9NOS — CID 19372401

IUPAC2-ethyl-3H-1,2-thiazole 1-oxide
SMILESCCN1CC=CS1=O
InChIInChI=1S/C5H9NOS/c1-2-6-4-3-5-8(6)7/h3,5H,2,4H2,1H3
InChIKeyHSVHURIPKHLIIG-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.50
Rot. Bonds1

About 2-ethyl-3H-1,2-thiazole 1-oxide

2-ethyl-3H-1,2-thiazole 1-oxide (PubChem CID 19372401) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-ethyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-ethyl-3H-1,2-thiazole 1-oxide
PubChem CID19372401
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-ethyl-3H-1,2-thiazole 1-oxide
SMILESCCN1CC=CS1=O
InChIInChI=1S/C5H9NOS/c1-2-6-4-3-5-8(6)7/h3,5H,2,4H2,1H3
InChIKeyHSVHURIPKHLIIG-UHFFFAOYSA-N
XLogP0.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2,3-dihydro-1lambda6,2-thiazole-1,1-dione
CID 118719355
2-methyl-3H-1,2-thiazole 1-oxide
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2-Methylisothiazolone Hydrochloride
CID 70074222
N-methyl-N-prop-2-enylethenesulfonamide
CID 134859531
N-ethyl-N-prop-2-enylsulfanylethanamine
CID 134892228
2-methyl-3H-1,2-thiazole
CID 18676727
2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide
CID 58769933
2-tert-butyl-3H-1,2-thiazole 1-oxide
CID 67882784
2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride
CID 67924960
2-propyl-3H-1,2-thiazole 1-oxide
CID 67924961
2-butyl-3H-1,2-thiazole 1-oxide
CID 68440885
2-prop-2-enyl-3H-1,2-thiazole 1-oxide
CID 70013743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-ethyl-3H-1,2-thiazole 1-oxide (CID 19372401) is 2-ethyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-ethyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-ethyl-3H-1,2-thiazole 1-oxide is CCN1CC=CS1=O.
What is the InChIKey of 2-ethyl-3H-1,2-thiazole 1-oxide?
The InChIKey is HSVHURIPKHLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-6-4-3-5-8(6)7/h3,5H,2,4H2,1H3.
What are the key properties of 2-ethyl-3H-1,2-thiazole 1-oxide?
2-ethyl-3H-1,2-thiazole 1-oxide has a molecular weight of 131.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 19372401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).