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

C12H15Cl2N3S — CID 43740880

IUPAC5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCCC(C)C(C)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H15Cl2N3S/c1-4-6(2)7(3)15-10-8(13)5-9(14)11-12(10)17-18-16-11/h5-7,15H,4H2,1-3H3
InChIKeyBPDGQWVDRCQZIE-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.84
Rot. Bonds4

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

5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740880) has the molecular formula C12H15Cl2N3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID43740880
Molecular FormulaC12H15Cl2N3S
Molecular Weight304.25 g/mol
Exact Mass303.04
IUPAC Name5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCCC(C)C(C)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H15Cl2N3S/c1-4-6(2)7(3)15-10-8(13)5-9(14)11-12(10)17-18-16-11/h5-7,15H,4H2,1-3H3
InChIKeyBPDGQWVDRCQZIE-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 43740880) is 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine is CCC(C)C(C)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is BPDGQWVDRCQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3S/c1-4-6(2)7(3)15-10-8(13)5-9(14)11-12(10)17-18-16-11/h5-7,15H,4H2,1-3H3.
What are the key properties of 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 304.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).