N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide

C19H16F3N3O2S — CID 2433948

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ncsc2c1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-2-4-16(25-5-7-27-8-6-25)15(10-13)24-18(26)12-1-3-14-17(9-12)28-11-23-14/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyHWXRLYDJYJYXAH-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.40
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 2433948) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID2433948
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ncsc2c1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-2-4-16(25-5-7-27-8-6-25)15(10-13)24-18(26)12-1-3-14-17(9-12)28-11-23-14/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyHWXRLYDJYJYXAH-UHFFFAOYSA-N
XLogP4.40
TPSA54.46 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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 37442200
[(2R)-1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 41136844
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16547024

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide (CID 2433948) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is HWXRLYDJYJYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)13-2-4-16(25-5-7-27-8-6-25)15(10-13)24-18(26)12-1-3-14-17(9-12)28-11-23-14/h1-4,9-11H,5-8H2,(H,24,26).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).