5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine

C12H9ClN4S — CID 65475995

IUPAC5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NCc1cccnc1
InChIInChI=1S/C12H9ClN4S/c13-9-3-4-10-12(17-18-16-10)11(9)15-7-8-2-1-5-14-6-8/h1-6,15H,7H2
InChIKeyQXCMWMZBQODZCX-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65475995) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65475995
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NCc1cccnc1
InChIInChI=1S/C12H9ClN4S/c13-9-3-4-10-12(17-18-16-10)11(9)15-7-8-2-1-5-14-6-8/h1-6,15H,7H2
InChIKeyQXCMWMZBQODZCX-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 81313328
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474052
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
5-chloro-N-(oxan-4-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65473653
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
CID 103252291
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
CID 18778349
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine (CID 65475995) is 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1NCc1cccnc1.
What is the InChIKey of 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is QXCMWMZBQODZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-9-3-4-10-12(17-18-16-10)11(9)15-7-8-2-1-5-14-6-8/h1-6,15H,7H2.
What are the key properties of 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 276.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65475995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).