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

C6H11NOS — CID 67924961

IUPAC2-propyl-3H-1,2-thiazole 1-oxide
SMILESCCCN1CC=CS1=O
InChIInChI=1S/C6H11NOS/c1-2-4-7-5-3-6-9(7)8/h3,6H,2,4-5H2,1H3
InChIKeyGRVFULSUNJBTEM-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.89
Rot. Bonds2

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

2-propyl-3H-1,2-thiazole 1-oxide (PubChem CID 67924961) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-propyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-propyl-3H-1,2-thiazole 1-oxide
PubChem CID67924961
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-propyl-3H-1,2-thiazole 1-oxide
SMILESCCCN1CC=CS1=O
InChIInChI=1S/C6H11NOS/c1-2-4-7-5-3-6-9(7)8/h3,6H,2,4-5H2,1H3
InChIKeyGRVFULSUNJBTEM-UHFFFAOYSA-N
XLogP0.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-propyl-3H-1,2-thiazole 1-oxide (CID 67924961) is 2-propyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-propyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-propyl-3H-1,2-thiazole 1-oxide is CCCN1CC=CS1=O.
What is the InChIKey of 2-propyl-3H-1,2-thiazole 1-oxide?
The InChIKey is GRVFULSUNJBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-4-7-5-3-6-9(7)8/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-propyl-3H-1,2-thiazole 1-oxide?
2-propyl-3H-1,2-thiazole 1-oxide has a molecular weight of 145.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 67924961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).