4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

C11H15NOS — CID 66044328

IUPAC4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESC=C(CC)CC(=O)Cc1csc(C)n1
InChIInChI=1S/C11H15NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7H,2,4-6H2,1,3H3
InChIKeyIOWILDZLPUMDQV-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.92
Rot. Bonds5

About 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (PubChem CID 66044328) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.

Molecular Properties

Compound Name4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
PubChem CID66044328
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESC=C(CC)CC(=O)Cc1csc(C)n1
InChIInChI=1S/C11H15NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7H,2,4-6H2,1,3H3
InChIKeyIOWILDZLPUMDQV-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115594716
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The IUPAC name of 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (CID 66044328) is 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.
What is the SMILES notation for 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The canonical SMILES for 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is C=C(CC)CC(=O)Cc1csc(C)n1.
What is the InChIKey of 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The InChIKey is IOWILDZLPUMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7H,2,4-6H2,1,3H3.
What are the key properties of 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is sourced from PubChem (CID 66044328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).