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

C10H6Cl2N4S2 — CID 168583120

IUPAC5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESClc1ncc(CNc2c(Cl)ccc3nsnc23)s1
InChIInChI=1S/C10H6Cl2N4S2/c11-6-1-2-7-9(16-18-15-7)8(6)13-3-5-4-14-10(12)17-5/h1-2,4,13H,3H2
InChIKeyIHIVALOMLQPMCB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.07
Rot. Bonds3

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

5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 168583120) has the molecular formula C10H6Cl2N4S2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID168583120
Molecular FormulaC10H6Cl2N4S2
Molecular Weight317.23 g/mol
Exact Mass315.94
IUPAC Name5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESClc1ncc(CNc2c(Cl)ccc3nsnc23)s1
InChIInChI=1S/C10H6Cl2N4S2/c11-6-1-2-7-9(16-18-15-7)8(6)13-3-5-4-14-10(12)17-5/h1-2,4,13H,3H2
InChIKeyIHIVALOMLQPMCB-UHFFFAOYSA-N
XLogP4.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine (CID 168583120) is 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine is Clc1ncc(CNc2c(Cl)ccc3nsnc23)s1.
What is the InChIKey of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is IHIVALOMLQPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4S2/c11-6-1-2-7-9(16-18-15-7)8(6)13-3-5-4-14-10(12)17-5/h1-2,4,13H,3H2.
What are the key properties of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 317.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 168583120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).