N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide

C20H19F3N4O2S — CID 56538097

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)13-2-1-3-14(10-13)24-12-18(28)25-15-4-5-16-17(11-15)30-19(26-16)27-6-8-29-9-7-27/h1-5,10-11,24H,6-9,12H2,(H,25,28)
InChIKeyFKELSAWQLNWXMY-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56538097) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56538097
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)13-2-1-3-14(10-13)24-12-18(28)25-15-4-5-16-17(11-15)30-19(26-16)27-6-8-29-9-7-27/h1-5,10-11,24H,6-9,12H2,(H,25,28)
InChIKeyFKELSAWQLNWXMY-UHFFFAOYSA-N
XLogP4.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 117090418
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55596101
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 55369497
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 56538097) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is FKELSAWQLNWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)13-2-1-3-14(10-13)24-12-18(28)25-15-4-5-16-17(11-15)30-19(26-16)27-6-8-29-9-7-27/h1-5,10-11,24H,6-9,12H2,(H,25,28).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 436.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56538097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).