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

C11H7Cl2F2N5S — CID 65475634

IUPAC5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)n1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C11H7Cl2F2N5S/c12-5-3-6(13)9-10(19-21-18-9)8(5)17-4-7-16-1-2-20(7)11(14)15/h1-3,11,17H,4H2
InChIKeyCEIPAQAUNUXRBG-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.20
Rot. Bonds4

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

5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65475634) has the molecular formula C11H7Cl2F2N5S and a molecular weight of 350.18 g/mol. Its IUPAC name is 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65475634
Molecular FormulaC11H7Cl2F2N5S
Molecular Weight350.18 g/mol
Exact Mass348.98
IUPAC Name5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)n1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C11H7Cl2F2N5S/c12-5-3-6(13)9-10(19-21-18-9)8(5)17-4-7-16-1-2-20(7)11(14)15/h1-3,11,17H,4H2
InChIKeyCEIPAQAUNUXRBG-UHFFFAOYSA-N
XLogP4.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
CID 83078879
5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 62350460
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
CID 113253408
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
5,7-dichloro-N-[(4-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740906
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474863
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitroaniline
CID 133276568
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
5,7-dichloro-N-[(4-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740915
5,7-dichloro-N-[(4-ethylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740917
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 65473888

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine (CID 65475634) is 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine is FC(F)n1ccnc1CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is CEIPAQAUNUXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F2N5S/c12-5-3-6(13)9-10(19-21-18-9)8(5)17-4-7-16-1-2-20(7)11(14)15/h1-3,11,17H,4H2.
What are the key properties of 5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 350.18 g/mol, XLogP of 4.20, 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-(difluoromethyl)imidazol-2-yl]methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65475634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).