tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene

C19H25NO4S — CID 142259310

IUPACtert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene
SMILESCOCc1ccccc1.Cc1c(C=O)sc(N)c1C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO3S.C8H10O/c1-6-7(5-13)16-9(12)8(6)10(14)15-11(2,3)4;1-9-7-8-5-3-2-4-6-8/h5H,12H2,1-4H3;2-6H,7H2,1H3
InChIKeyQPGGXXKDDAXRSM-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene

tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene (PubChem CID 142259310) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene.

Molecular Properties

Compound Nametert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene
PubChem CID142259310
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Nametert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene
SMILESCOCc1ccccc1.Cc1c(C=O)sc(N)c1C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO3S.C8H10O/c1-6-7(5-13)16-9(12)8(6)10(14)15-11(2,3)4;1-9-7-8-5-3-2-4-6-8/h5H,12H2,1-4H3;2-6H,7H2,1H3
InChIKeyQPGGXXKDDAXRSM-UHFFFAOYSA-N
XLogP4.24
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene 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

tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxylate
CID 10680818
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxycarbonylamino)thiophene-2-carboxylic acid
CID 142777576
2-amino-4-(methoxymethyl)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid
CID 154082367
2-O-benzyl 4-O-tert-butyl 5-formyl-3-(trifluoromethyl)-1H-pyrrole-2,4-dicarboxylate
CID 143506999
benzyl 4-methyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]thiophene-2-carboxylate
CID 70869427
tert-butyl 2-amino-5-(3-phenylpropyl)thiophene-3-carboxylate
CID 21030874
tert-butyl 3,3-diamino-3-phenylmethoxypropanoate
CID 174431834
1-O-benzyl 3-O-tert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 11645573
3-O-benzyl 4-O-tert-butyl 1,5-dimethylpyrazole-3,4-dicarboxylate
CID 121281539
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
methoxymethylbenzene;methyl acetate
CID 54330728
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene?
The IUPAC name of tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene (CID 142259310) is tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene.
What is the SMILES notation for tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene?
The canonical SMILES for tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene is COCc1ccccc1.Cc1c(C=O)sc(N)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene?
The InChIKey is QPGGXXKDDAXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S.C8H10O/c1-6-7(5-13)16-9(12)8(6)10(14)15-11(2,3)4;1-9-7-8-5-3-2-4-6-8/h5H,12H2,1-4H3;2-6H,7H2,1H3.
What are the key properties of tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene?
tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene has a molecular weight of 363.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-formyl-4-methylthiophene-3-carboxylate;methoxymethylbenzene is sourced from PubChem (CID 142259310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).