N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide

C10H10Cl2N4S — CID 65452782

IUPACN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N/c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H10Cl2N4S/c1-4(2)10(13)14-7-5(11)3-6(12)8-9(7)16-17-15-8/h3-4H,1-2H3,(H2,13,14)
InChIKeyXBWOCQPDPDLSOJ-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.64
Rot. Bonds2

About N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide

N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide (PubChem CID 65452782) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide
PubChem CID65452782
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC NameN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N/c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H10Cl2N4S/c1-4(2)10(13)14-7-5(11)3-6(12)8-9(7)16-17-15-8/h3-4H,1-2H3,(H2,13,14)
InChIKeyXBWOCQPDPDLSOJ-UHFFFAOYSA-N
XLogP3.64
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide?
The IUPAC name of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide (CID 65452782) is N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide?
The canonical SMILES for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide is CC(C)/C(N)=N/c1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide?
The InChIKey is XBWOCQPDPDLSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S/c1-4(2)10(13)14-7-5(11)3-6(12)8-9(7)16-17-15-8/h3-4H,1-2H3,(H2,13,14).
What are the key properties of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide?
N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide has a molecular weight of 289.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanimidamide is sourced from PubChem (CID 65452782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).