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

C6H9NOS — CID 22082387

IUPAC1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)C1CSC(C)=N1
InChIInChI=1S/C6H9NOS/c1-4(8)6-3-9-5(2)7-6/h6H,3H2,1-2H3
InChIKeyPVZFSSYWFMBHHU-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.11
Rot. Bonds1

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

1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone (PubChem CID 22082387) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone
PubChem CID22082387
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)C1CSC(C)=N1
InChIInChI=1S/C6H9NOS/c1-4(8)6-3-9-5(2)7-6/h6H,3H2,1-2H3
InChIKeyPVZFSSYWFMBHHU-UHFFFAOYSA-N
XLogP1.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6428990
CID 6428990
CID 13420869
CID 13420869
CID 11052724
CID 11052724
CID 91748654
CID 91748654
CID 5325429
CID 5325429
CID 5325431
CID 5325431
CID 11018985
CID 11018985
CID 20781366
CID 20781366
CID 59645498
CID 59645498
CID 68325027
CID 68325027
CID 68390102
CID 68390102
CID 85777495
CID 85777495

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone (CID 22082387) is 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone is CC(=O)C1CSC(C)=N1.
What is the InChIKey of 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone?
The InChIKey is PVZFSSYWFMBHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4(8)6-3-9-5(2)7-6/h6H,3H2,1-2H3.
What are the key properties of 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone?
1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone has a molecular weight of 143.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 22082387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).