4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

C19H16F3N3O2S — CID 150035010

IUPAC4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(N2CCOCC2)c(-c2nc3ccc(C(F)(F)F)cc3s2)c1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-2-3-14-16(10-12)28-18(24-14)13-9-11(17(23)26)1-4-15(13)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,23,26)
InChIKeyDIBJPFRCBDVYHJ-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.92
Rot. Bonds3

About 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 150035010) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID150035010
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(N2CCOCC2)c(-c2nc3ccc(C(F)(F)F)cc3s2)c1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-2-3-14-16(10-12)28-18(24-14)13-9-11(17(23)26)1-4-15(13)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,23,26)
InChIKeyDIBJPFRCBDVYHJ-UHFFFAOYSA-N
XLogP3.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 117090418
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538097
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone
CID 163319853
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (CID 150035010) is 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is NC(=O)c1ccc(N2CCOCC2)c(-c2nc3ccc(C(F)(F)F)cc3s2)c1.
What is the InChIKey of 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is DIBJPFRCBDVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)12-2-3-14-16(10-12)28-18(24-14)13-9-11(17(23)26)1-4-15(13)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,23,26).
What are the key properties of 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 407.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 150035010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).