N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine

C11H9ClN4S2 — CID 66387617

IUPACN-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
SMILESNc1ccsc1CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H9ClN4S2/c12-6-1-2-8-11(16-18-15-8)10(6)14-5-9-7(13)3-4-17-9/h1-4,14H,5,13H2
InChIKeyRARLLUYZJJOCLQ-UHFFFAOYSA-N
MW296.81 g/mol
LogP3.60
Rot. Bonds3

About N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine

N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine (PubChem CID 66387617) has the molecular formula C11H9ClN4S2 and a molecular weight of 296.81 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
PubChem CID66387617
Molecular FormulaC11H9ClN4S2
Molecular Weight296.81 g/mol
Exact Mass296.00
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
SMILESNc1ccsc1CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H9ClN4S2/c12-6-1-2-8-11(16-18-15-8)10(6)14-5-9-7(13)3-4-17-9/h1-4,14H,5,13H2
InChIKeyRARLLUYZJJOCLQ-UHFFFAOYSA-N
XLogP3.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine 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

N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazol-5-amine
CID 145966982
5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 116615617
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 70343693
N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide
CID 28067995
N-(thiophen-2-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
CID 43228605
N-[(5-chlorothiophen-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 43230488
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715937
5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 43740881
5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine
CID 43740882
5,7-dichloro-N-[(5-methylthiophen-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740886
5,7-dichloro-N-[(5-chlorothiophen-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740889
5,7-dichloro-N-(3-methylsulfanylpropyl)-2,1,3-benzothiadiazol-4-amine
CID 43740891

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine (CID 66387617) is N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine is Nc1ccsc1CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine?
The InChIKey is RARLLUYZJJOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S2/c12-6-1-2-8-11(16-18-15-8)10(6)14-5-9-7(13)3-4-17-9/h1-4,14H,5,13H2.
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine?
N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine has a molecular weight of 296.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 66387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).