N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide

C15H7F3N4OS2 — CID 121028811

IUPACN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2nsnc2c1
InChIInChI=1S/C15H7F3N4OS2/c16-15(17,18)8-2-1-3-11-12(8)19-14(24-11)20-13(23)7-4-5-9-10(6-7)22-25-21-9/h1-6H,(H,19,20,23)
InChIKeyCUZVNHXAPSRKDU-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.57
Rot. Bonds2

About N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 121028811) has the molecular formula C15H7F3N4OS2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID121028811
Molecular FormulaC15H7F3N4OS2
Molecular Weight380.38 g/mol
Exact Mass380.00
IUPAC NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2nsnc2c1
InChIInChI=1S/C15H7F3N4OS2/c16-15(17,18)8-2-1-3-11-12(8)19-14(24-11)20-13(23)7-4-5-9-10(6-7)22-25-21-9/h1-6H,(H,19,20,23)
InChIKeyCUZVNHXAPSRKDU-UHFFFAOYSA-N
XLogP4.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028941
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 43990025
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 121028811) is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2nsnc2c1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is CUZVNHXAPSRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N4OS2/c16-15(17,18)8-2-1-3-11-12(8)19-14(24-11)20-13(23)7-4-5-9-10(6-7)22-25-21-9/h1-6H,(H,19,20,23).
What are the key properties of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 121028811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).