N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide

C22H20N6O2S — CID 35445200

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C22H20N6O2S/c29-20(15-3-1-4-16(13-15)26-21-23-7-2-8-24-21)25-17-5-6-18-19(14-17)31-22(27-18)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2,(H,25,29)(H,23,24,26)
InChIKeyNLFDQVUCCYGLIA-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.92
Rot. Bonds5

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 35445200) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
PubChem CID35445200
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C22H20N6O2S/c29-20(15-3-1-4-16(13-15)26-21-23-7-2-8-24-21)25-17-5-6-18-19(14-17)31-22(27-18)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2,(H,25,29)(H,23,24,26)
InChIKeyNLFDQVUCCYGLIA-UHFFFAOYSA-N
XLogP3.92
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
CID 39624353
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 25439611
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide (CID 35445200) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is NLFDQVUCCYGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c29-20(15-3-1-4-16(13-15)26-21-23-7-2-8-24-21)25-17-5-6-18-19(14-17)31-22(27-18)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2,(H,25,29)(H,23,24,26).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 35445200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).