5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

C10H10ClN5S — CID 143733554

IUPAC5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCN1CCN=C1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN5S/c1-16-5-4-12-10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyHGVYTXBVXLUGKX-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.06
Rot. Bonds1

About 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 143733554) has the molecular formula C10H10ClN5S and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID143733554
Molecular FormulaC10H10ClN5S
Molecular Weight267.74 g/mol
Exact Mass267.03
IUPAC Name5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCN1CCN=C1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN5S/c1-16-5-4-12-10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyHGVYTXBVXLUGKX-UHFFFAOYSA-N
XLogP2.06
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 143733554) is 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is CN1CCN=C1Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HGVYTXBVXLUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5S/c1-16-5-4-12-10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 267.74 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 143733554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).