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

C10H10ClN3OS — CID 22097845

IUPACN-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3OS.ClH/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8;/h1-5H,(H4,11,12,13,14);1H
InChIKeyRGXPSSPVEXFSEC-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.74
Rot. Bonds1

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

N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 22097845) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID22097845
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC NameN-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3OS.ClH/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8;/h1-5H,(H4,11,12,13,14);1H
InChIKeyRGXPSSPVEXFSEC-UHFFFAOYSA-N
XLogP1.74
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.74
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

bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-benzothiophene-2-carbothioamide
CID 15166169
N'-hydroxy-1-benzothiophene-2-carboximidamide
CID 6161317
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
benzamide;1-benzothiophene-2-carboxylic acid
CID 158859851
4-cyano-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide
CID 11515637
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
3,5-diamino-6-(1-benzothiophen-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 155553525
N-(diaminomethylidene)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 22097901
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
N-(diaminomethylidene)-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 11689961
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride (CID 22097845) is N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is RGXPSSPVEXFSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS.ClH/c11-10(12)13-9(14)8-5-6-3-1-2-4-7(6)15-8;/h1-5H,(H4,11,12,13,14);1H.
What are the key properties of N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 255.73 g/mol, XLogP of 1.74, 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;hydrochloride is sourced from PubChem (CID 22097845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).