methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate

C14H16N2O4S2 — CID 75400918

IUPACmethyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)CCn2c(C)csc2=O)c1C
InChIInChI=1S/C14H16N2O4S2/c1-8-6-22-14(19)16(8)5-4-11(17)15-12-9(2)10(7-21-12)13(18)20-3/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyFQZVKYFSWVMKJS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds5

About methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate

methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate (PubChem CID 75400918) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
PubChem CID75400918
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Namemethyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)CCn2c(C)csc2=O)c1C
InChIInChI=1S/C14H16N2O4S2/c1-8-6-22-14(19)16(8)5-4-11(17)15-12-9(2)10(7-21-12)13(18)20-3/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyFQZVKYFSWVMKJS-UHFFFAOYSA-N
XLogP2.40
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate 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

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
CID 46538899
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate (CID 75400918) is methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate is COC(=O)c1csc(NC(=O)CCn2c(C)csc2=O)c1C.
What is the InChIKey of methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate?
The InChIKey is FQZVKYFSWVMKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-8-6-22-14(19)16(8)5-4-11(17)15-12-9(2)10(7-21-12)13(18)20-3/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate?
methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 75400918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).