2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide

C12H14Cl2N4OS — CID 60847013

IUPAC2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H14Cl2N4OS/c1-3-4-12(2,15)11(19)16-8-6(13)5-7(14)9-10(8)18-20-17-9/h5H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyNRMHBNXEBZBELU-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide

2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide (PubChem CID 60847013) has the molecular formula C12H14Cl2N4OS and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
PubChem CID60847013
Molecular FormulaC12H14Cl2N4OS
Molecular Weight333.24 g/mol
Exact Mass332.03
IUPAC Name2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H14Cl2N4OS/c1-3-4-12(2,15)11(19)16-8-6(13)5-7(14)9-10(8)18-20-17-9/h5H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyNRMHBNXEBZBELU-UHFFFAOYSA-N
XLogP3.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide (CID 60847013) is 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide?
The InChIKey is NRMHBNXEBZBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4OS/c1-3-4-12(2,15)11(19)16-8-6(13)5-7(14)9-10(8)18-20-17-9/h5H,3-4,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide?
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide has a molecular weight of 333.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide is sourced from PubChem (CID 60847013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).