N-(diaminomethylidene)-1-benzothiophene-2-carboxamide

C10H9N3OS — CID 11558719

IUPACN-(diaminomethylidene)-1-benzothiophene-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3OS/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H4,11,12,13,14)
InChIKeyBGMDQXIVNAIZSS-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.31
Rot. Bonds1

About N-(diaminomethylidene)-1-benzothiophene-2-carboxamide

N-(diaminomethylidene)-1-benzothiophene-2-carboxamide (PubChem CID 11558719) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-benzothiophene-2-carboxamide
PubChem CID11558719
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(diaminomethylidene)-1-benzothiophene-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3OS/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H4,11,12,13,14)
InChIKeyBGMDQXIVNAIZSS-UHFFFAOYSA-N
XLogP1.31
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

KR-33028
CID 11515637
N-hydroxybenzo(b)thiophene-2-carboxamide
CID 11708207
1-Benzothiophene-2-carbohydrazide
CID 519437
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
methyl N,N'-bis(1-benzothiophene-2-carbonyl)carbamimidothioate
CID 51033233
methyl N,N'-bis(1-benzothiophene-2-carbonyl)carbamimidoselenoate
CID 51033234
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
N-(diaminomethylidene)-4-methyl-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11500854
N-(diaminomethylidene)-4-(trifluoromethyl)-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11603376
N-(diaminomethylidene)-4-ethenyl-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11617076
N-(diaminomethylidene)-4-ethyl-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11617120
N-(diaminomethylidene)-4-propan-2-yl-1-benzothiophene-2-carboxamide;methanesulfonic acid
CID 11631798

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide (CID 11558719) is N-(diaminomethylidene)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-benzothiophene-2-carboxamide is NC(N)=NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide?
The InChIKey is BGMDQXIVNAIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H4,11,12,13,14).
What are the key properties of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide?
N-(diaminomethylidene)-1-benzothiophene-2-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11558719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).