5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine

C11H12ClN3S — CID 65475599

IUPAC5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCCC1
InChIInChI=1S/C11H12ClN3S/c12-8-5-6-9-11(15-16-14-9)10(8)13-7-3-1-2-4-7/h5-7,13H,1-4H2
InChIKeyMZJMJDDXNJGTLC-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.70
Rot. Bonds2

About 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine

5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 65475599) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine
PubChem CID65475599
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NC1CCCC1
InChIInChI=1S/C11H12ClN3S/c12-8-5-6-9-11(15-16-14-9)10(8)13-7-3-1-2-4-7/h5-7,13H,1-4H2
InChIKeyMZJMJDDXNJGTLC-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine (CID 65475599) is 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1NC1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine?
The InChIKey is MZJMJDDXNJGTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-8-5-6-9-11(15-16-14-9)10(8)13-7-3-1-2-4-7/h5-7,13H,1-4H2.
What are the key properties of 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65475599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).