N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide

C13H12N2O3S — CID 43548279

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)s1
InChIInChI=1S/C13H12N2O3S/c1-7-2-3-12(19-7)13(16)15-9-5-11-10(4-8(9)14)17-6-18-11/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyXPZVSWWBFISFMP-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.62
Rot. Bonds2

About N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide (PubChem CID 43548279) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
PubChem CID43548279
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)s1
InChIInChI=1S/C13H12N2O3S/c1-7-2-3-12(19-7)13(16)15-9-5-11-10(4-8(9)14)17-6-18-11/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyXPZVSWWBFISFMP-UHFFFAOYSA-N
XLogP2.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromothiophene-2-carboxamide
CID 43548159
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119619097
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79975307
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(6-amino-1,3-benzodioxol-5-yl)-5-iodothiophene-3-carboxamide
CID 79685249
N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
CID 103807343
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide (CID 43548279) is N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)s1.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is XPZVSWWBFISFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-2-3-12(19-7)13(16)15-9-5-11-10(4-8(9)14)17-6-18-11/h2-5H,6,14H2,1H3,(H,15,16).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43548279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).