3-butyl-4,5-dimethyl-1,3-thiazol-2-one

C9H15NOS — CID 69117758

IUPAC3-butyl-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCCCn1c(C)c(C)sc1=O
InChIInChI=1S/C9H15NOS/c1-4-5-6-10-7(2)8(3)12-9(10)11/h4-6H2,1-3H3
InChIKeyBUBQSHUHZWQHDV-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.33
Rot. Bonds3

About 3-butyl-4,5-dimethyl-1,3-thiazol-2-one

3-butyl-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 69117758) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-butyl-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-butyl-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID69117758
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-butyl-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCCCn1c(C)c(C)sc1=O
InChIInChI=1S/C9H15NOS/c1-4-5-6-10-7(2)8(3)12-9(10)11/h4-6H2,1-3H3
InChIKeyBUBQSHUHZWQHDV-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-butyl-4,5-dimethyl-1,3-thiazol-2-one (CID 69117758) is 3-butyl-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-butyl-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-butyl-4,5-dimethyl-1,3-thiazol-2-one is CCCCn1c(C)c(C)sc1=O.
What is the InChIKey of 3-butyl-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is BUBQSHUHZWQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-5-6-10-7(2)8(3)12-9(10)11/h4-6H2,1-3H3.
What are the key properties of 3-butyl-4,5-dimethyl-1,3-thiazol-2-one?
3-butyl-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 185.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 69117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).