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

C16H8F3N3OS2 — CID 90606188

IUPACN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-2-8(6-9)14(23)22-15-21-11-5-4-10-12(13(11)25-15)24-7-20-10/h1-7H,(H,21,22,23)
InChIKeyRTNXQHWUSPTRCU-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.18
Rot. Bonds2

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

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 90606188) 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)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID90606188
Molecular FormulaC16H8F3N3OS2
Molecular Weight379.39 g/mol
Exact Mass379.01
IUPAC NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-2-8(6-9)14(23)22-15-21-11-5-4-10-12(13(11)25-15)24-7-20-10/h1-7H,(H,21,22,23)
InChIKeyRTNXQHWUSPTRCU-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)-4-(trifluoromethyl)benzamide
CID 90606185
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 90606206
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
CID 90606203
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(5-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 16850466
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177

Frequently Asked Questions

What is the IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 90606188) is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nc2ccc3ncsc3c2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is RTNXQHWUSPTRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3OS2/c17-16(18,19)9-3-1-2-8(6-9)14(23)22-15-21-11-5-4-10-12(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)-3-(trifluoromethyl)benzamide?
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(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)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90606188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).