[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine

C11H9N3S2 — CID 170943912

IUPAC[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cccc3nsnc23)s1
InChIInChI=1S/C11H9N3S2/c12-6-7-4-5-10(15-7)8-2-1-3-9-11(8)14-16-13-9/h1-5H,6,12H2
InChIKeyBXOHBKCMTNOVCQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.88
Rot. Bonds2

About [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine

[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine (PubChem CID 170943912) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine
PubChem CID170943912
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2cccc3nsnc23)s1
InChIInChI=1S/C11H9N3S2/c12-6-7-4-5-10(15-7)8-2-1-3-9-11(8)14-16-13-9/h1-5H,6,12H2
InChIKeyBXOHBKCMTNOVCQ-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine 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

(5-naphthalen-1-ylthiophen-2-yl)methanamine
CID 43154300
(5-phenylthiophen-2-yl)methanamine
CID 11993875
4-[4-(2,1,3-benzothiadiazol-4-yl)-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]-2,1,3-benzothiadiazole
CID 171767935
4-(5-ethylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 169075394
4-(3,5-ditert-butylphenyl)-2,1,3-benzothiadiazole
CID 175140946
2,1,3-benzothiadiazol-4-amine;methane
CID 142242922
4-[2,5-bis(2,1,3-benzothiadiazol-4-yl)phenyl]-2,1,3-benzothiadiazole
CID 132539034
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
4-[10-(2,1,3-benzothiadiazol-4-yl)-7,7-didodecyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,1,3-benzothiadiazole
CID 101482864
N'-(2,1,3-benzothiadiazol-4-yl)pentane-1,5-diamine
CID 59230508
[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine
CID 66279048
4,7-bis[5-(2-methylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 58610797

Frequently Asked Questions

What is the IUPAC name of [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine (CID 170943912) is [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine is NCc1ccc(-c2cccc3nsnc23)s1.
What is the InChIKey of [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine?
The InChIKey is BXOHBKCMTNOVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c12-6-7-4-5-10(15-7)8-2-1-3-9-11(8)14-16-13-9/h1-5H,6,12H2.
What are the key properties of [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine?
[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine has a molecular weight of 247.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 170943912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).