1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone

C9H13NOS — CID 89319985

IUPAC1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
SMILESC=C1SC(C(C)=O)=C(C)N1CC
InChIInChI=1S/C9H13NOS/c1-5-10-6(2)9(7(3)11)12-8(10)4/h4-5H2,1-3H3
InChIKeyQVMDTDZWMBDNBD-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone

1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone (PubChem CID 89319985) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
PubChem CID89319985
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
SMILESC=C1SC(C(C)=O)=C(C)N1CC
InChIInChI=1S/C9H13NOS/c1-5-10-6(2)9(7(3)11)12-8(10)4/h4-5H2,1-3H3
InChIKeyQVMDTDZWMBDNBD-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone (CID 89319985) is 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone is C=C1SC(C(C)=O)=C(C)N1CC.
What is the InChIKey of 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The InChIKey is QVMDTDZWMBDNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-5-10-6(2)9(7(3)11)12-8(10)4/h4-5H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone has a molecular weight of 183.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 89319985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).