3-methoxy-5-methylthiophene-2-carbonyl chloride

C7H7ClO2S — CID 45081654

IUPAC3-methoxy-5-methylthiophene-2-carbonyl chloride
SMILESCOc1cc(C)sc1C(=O)Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-5(10-2)6(11-4)7(8)9/h3H,1-2H3
InChIKeyUQXPVMCWXYBBDT-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.44
Rot. Bonds2

About 3-methoxy-5-methylthiophene-2-carbonyl chloride

3-methoxy-5-methylthiophene-2-carbonyl chloride (PubChem CID 45081654) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 3-methoxy-5-methylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3-methoxy-5-methylthiophene-2-carbonyl chloride
PubChem CID45081654
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name3-methoxy-5-methylthiophene-2-carbonyl chloride
SMILESCOc1cc(C)sc1C(=O)Cl
InChIInChI=1S/C7H7ClO2S/c1-4-3-5(10-2)6(11-4)7(8)9/h3H,1-2H3
InChIKeyUQXPVMCWXYBBDT-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-methylthiophene-2-carbonyl chloride 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-[(3-methoxy-5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 115731160
3-chloro-5-methoxy-6-methyl-1-benzothiophene-2-carbonyl chloride
CID 75366830
N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 111758309
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 124590377
(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 81160018
[(3S)-thiolan-3-yl] 3-methoxy-5-methylthiophene-2-carboxylate
CID 95906441
3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 166205739
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
2-chloro-5-methylthiophene-3-carbonyl chloride
CID 144667552
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 99938378
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
N-[3-(azepan-1-yl)-3-oxopropyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 75371481

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methylthiophene-2-carbonyl chloride?
The IUPAC name of 3-methoxy-5-methylthiophene-2-carbonyl chloride (CID 45081654) is 3-methoxy-5-methylthiophene-2-carbonyl chloride.
What is the SMILES notation for 3-methoxy-5-methylthiophene-2-carbonyl chloride?
The canonical SMILES for 3-methoxy-5-methylthiophene-2-carbonyl chloride is COc1cc(C)sc1C(=O)Cl.
What is the InChIKey of 3-methoxy-5-methylthiophene-2-carbonyl chloride?
The InChIKey is UQXPVMCWXYBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-4-3-5(10-2)6(11-4)7(8)9/h3H,1-2H3.
What are the key properties of 3-methoxy-5-methylthiophene-2-carbonyl chloride?
3-methoxy-5-methylthiophene-2-carbonyl chloride has a molecular weight of 190.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methylthiophene-2-carbonyl chloride is sourced from PubChem (CID 45081654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).