N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide

C16H8F3N3OS2 — CID 90606185

IUPACN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-8(2-4-9)14(23)22-15-21-11-6-5-10-12(13(11)25-15)24-7-20-10/h1-7H,(H,21,22,23)
InChIKeyZBTREAQXELELEL-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.18
Rot. Bonds2

About N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 90606185) has the molecular formula C16H8F3N3OS2 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID90606185
Molecular FormulaC16H8F3N3OS2
Molecular Weight379.39 g/mol
Exact Mass379.01
IUPAC NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-8(2-4-9)14(23)22-15-21-11-6-5-10-12(13(11)25-15)24-7-20-10/h1-7H,(H,21,22,23)
InChIKeyZBTREAQXELELEL-UHFFFAOYSA-N
XLogP5.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
CID 90606203
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 90606206
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90606233
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 122690848
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
4-chloro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-(trifluoromethyl)benzamide
CID 90606264
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43972313

Frequently Asked Questions

What is the IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 90606185) is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1nc2ccc3ncsc3c2s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZBTREAQXELELEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-8(2-4-9)14(23)22-15-21-11-6-5-10-12(13(11)25-15)24-7-20-10/h1-7H,(H,21,22,23).
What are the key properties of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 379.39 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90606185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).