methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate

C10H14N2O3S — CID 64899109

IUPACmethyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-6(9(13)12(2)3)8(11)16-7(5)10(14)15-4/h11H2,1-4H3
InChIKeyILBBBYVOYZXDMJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.13
Rot. Bonds2

About methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate

methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate (PubChem CID 64899109) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
PubChem CID64899109
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-6(9(13)12(2)3)8(11)16-7(5)10(14)15-4/h11H2,1-4H3
InChIKeyILBBBYVOYZXDMJ-UHFFFAOYSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
CID 43174820
methyl 2-[(2,2-dichloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4205086
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate (CID 64899109) is methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate is COC(=O)c1sc(N)c(C(=O)N(C)C)c1C.
What is the InChIKey of methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate?
The InChIKey is ILBBBYVOYZXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5-6(9(13)12(2)3)8(11)16-7(5)10(14)15-4/h11H2,1-4H3.
What are the key properties of methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate?
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 64899109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).