5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine

C12H11Cl2N5S — CID 62350460

IUPAC5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCCn1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H11Cl2N5S/c1-2-19-4-3-15-9(19)6-16-10-7(13)5-8(14)11-12(10)18-20-17-11/h3-5,16H,2,6H2,1H3
InChIKeyWEEUZFQFIIXISI-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.83
Rot. Bonds4

About 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 62350460) has the molecular formula C12H11Cl2N5S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID62350460
Molecular FormulaC12H11Cl2N5S
Molecular Weight328.23 g/mol
Exact Mass327.01
IUPAC Name5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCCn1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H11Cl2N5S/c1-2-19-4-3-15-9(19)6-16-10-7(13)5-8(14)11-12(10)18-20-17-11/h3-5,16H,2,6H2,1H3
InChIKeyWEEUZFQFIIXISI-UHFFFAOYSA-N
XLogP3.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
CID 65475634
5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474863
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
5,7-dichloro-N-[(4-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740915
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 62356904
5,7-dichloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 66131112
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine (CID 62350460) is 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine is CCn1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is WEEUZFQFIIXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5S/c1-2-19-4-3-15-9(19)6-16-10-7(13)5-8(14)11-12(10)18-20-17-11/h3-5,16H,2,6H2,1H3.
What are the key properties of 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 328.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 62350460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).