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

C13H11ClN4S — CID 81313328

IUPAC5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc(CNc2c(Cl)ccc3nsnc23)nc1
InChIInChI=1S/C13H11ClN4S/c1-8-2-3-9(15-6-8)7-16-12-10(14)4-5-11-13(12)18-19-17-11/h2-6,16H,7H2,1H3
InChIKeyLBBPZAINJVQWNE-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.66
Rot. Bonds3

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

5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 81313328) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID81313328
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc(CNc2c(Cl)ccc3nsnc23)nc1
InChIInChI=1S/C13H11ClN4S/c1-8-2-3-9(15-6-8)7-16-12-10(14)4-5-11-13(12)18-19-17-11/h2-6,16H,7H2,1H3
InChIKeyLBBPZAINJVQWNE-UHFFFAOYSA-N
XLogP3.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]-4-methylphenol
CID 65474238
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 168583120
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65475995
N-butyl-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65475994
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 66397296
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
5-chloro-N-hexyl-2,1,3-benzothiadiazol-4-amine
CID 65473471
N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 66387617
5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473320
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine (CID 81313328) is 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine is Cc1ccc(CNc2c(Cl)ccc3nsnc23)nc1.
What is the InChIKey of 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is LBBPZAINJVQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-8-2-3-9(15-6-8)7-16-12-10(14)4-5-11-13(12)18-19-17-11/h2-6,16H,7H2,1H3.
What are the key properties of 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 290.78 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-2-pyridinyl)methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 81313328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).