5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine

C11H12Cl2N4S — CID 62977093

IUPAC5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCN1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1
InChIInChI=1S/C11H12Cl2N4S/c1-17-3-2-6(5-17)14-9-7(12)4-8(13)10-11(9)16-18-15-10/h4,6,14H,2-3,5H2,1H3
InChIKeyVUBSBQPQYVDIET-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.11
Rot. Bonds2

About 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 62977093) has the molecular formula C11H12Cl2N4S and a molecular weight of 303.22 g/mol. Its IUPAC name is 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID62977093
Molecular FormulaC11H12Cl2N4S
Molecular Weight303.22 g/mol
Exact Mass302.02
IUPAC Name5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCN1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1
InChIInChI=1S/C11H12Cl2N4S/c1-17-3-2-6(5-17)14-9-7(12)4-8(13)10-11(9)16-18-15-10/h4,6,14H,2-3,5H2,1H3
InChIKeyVUBSBQPQYVDIET-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
CID 43790039
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine
CID 65476017
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474046
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine
CID 65475540
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
1-[1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 65475096
N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine
CID 107649099
3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
CID 79532045

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine (CID 62977093) is 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine is CN1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1.
What is the InChIKey of 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is VUBSBQPQYVDIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4S/c1-17-3-2-6(5-17)14-9-7(12)4-8(13)10-11(9)16-18-15-10/h4,6,14H,2-3,5H2,1H3.
What are the key properties of 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 303.22 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 62977093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).