2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C8H11IN2OS — CID 64787196

IUPAC2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CI)cs1
InChIInChI=1S/C8H11IN2OS/c1-11(2)8(12)3-7-10-6(4-9)5-13-7/h5H,3-4H2,1-2H3
InChIKeyLUQPFICNGDTRMU-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.71
Rot. Bonds3

About 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 64787196) has the molecular formula C8H11IN2OS and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID64787196
Molecular FormulaC8H11IN2OS
Molecular Weight310.16 g/mol
Exact Mass309.96
IUPAC Name2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CI)cs1
InChIInChI=1S/C8H11IN2OS/c1-11(2)8(12)3-7-10-6(4-9)5-13-7/h5H,3-4H2,1-2H3
InChIKeyLUQPFICNGDTRMU-UHFFFAOYSA-N
XLogP1.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide 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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249455
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
CID 62011847
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 43468665
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-methylbutanoic acid
CID 105353977
2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43247566
2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64616893
N,N-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 84599482
2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249930
2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 62655183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 64787196) is 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(CI)cs1.
What is the InChIKey of 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is LUQPFICNGDTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2OS/c1-11(2)8(12)3-7-10-6(4-9)5-13-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 310.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 64787196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).