4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one

C10H15NOS — CID 130611529

IUPAC4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one
SMILESC=C(CC)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H15NOS/c1-5-7(2)6-11-8(3)9(4)13-10(11)12/h2,5-6H2,1,3-4H3
InChIKeyXMNSGUNUVFFZAY-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.49
Rot. Bonds3

About 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one

4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one (PubChem CID 130611529) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one
PubChem CID130611529
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one
SMILESC=C(CC)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H15NOS/c1-5-7(2)6-11-8(3)9(4)13-10(11)12/h2,5-6H2,1,3-4H3
InChIKeyXMNSGUNUVFFZAY-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one (CID 130611529) is 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one is C=C(CC)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one?
The InChIKey is XMNSGUNUVFFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-5-7(2)6-11-8(3)9(4)13-10(11)12/h2,5-6H2,1,3-4H3.
What are the key properties of 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one?
4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2-methylidenebutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 130611529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).