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

C10H11N3OS — CID 107977007

IUPAC1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cn(C)cn2)cs1
InChIInChI=1S/C10H11N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-13(2)6-11-9/h4-6H,3H2,1-2H3
InChIKeyGRQYQPJLRBQOTM-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.61
Rot. Bonds3

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

1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 107977007) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID107977007
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cn(C)cn2)cs1
InChIInChI=1S/C10H11N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-13(2)6-11-9/h4-6H,3H2,1-2H3
InChIKeyGRQYQPJLRBQOTM-UHFFFAOYSA-N
XLogP1.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylimidazol-4-yl)-2-(2-methyl-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

methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62797724
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]imidazole-4-carboxamide
CID 122156292
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979416
N-(1-methylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473002
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 107977007) is 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2cn(C)cn2)cs1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is GRQYQPJLRBQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-12-8(5-15-7)3-10(14)9-4-13(2)6-11-9/h4-6H,3H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 107977007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).